[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone

C21H28N6OS — CID 155918154

IUPAC[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone
SMILESCc1nc(NCCc2csc(N)n2)c2c(n1)C1(CCCN(C(=O)C3CC3)C1)CC2
InChIInChI=1S/C21H28N6OS/c1-13-24-17-16(18(25-13)23-9-6-15-11-29-20(22)26-15)5-8-21(17)7-2-10-27(12-21)19(28)14-3-4-14/h11,14H,2-10,12H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyOESWMIZNSKFELR-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.69
Rot. Bonds5

About [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone

[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone (PubChem CID 155918154) has the molecular formula C21H28N6OS and a molecular weight of 412.56 g/mol. Its IUPAC name is [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone
PubChem CID155918154
Molecular FormulaC21H28N6OS
Molecular Weight412.56 g/mol
Exact Mass412.20
IUPAC Name[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone
SMILESCc1nc(NCCc2csc(N)n2)c2c(n1)C1(CCCN(C(=O)C3CC3)C1)CC2
InChIInChI=1S/C21H28N6OS/c1-13-24-17-16(18(25-13)23-9-6-15-11-29-20(22)26-15)5-8-21(17)7-2-10-27(12-21)19(28)14-3-4-14/h11,14H,2-10,12H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyOESWMIZNSKFELR-UHFFFAOYSA-N
XLogP2.69
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
CID 56865157
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
CID 163316647
2-tert-butyl-1'-(cyclobutanecarbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154821548
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine
CID 155909896
1-[2-tert-butyl-4-[2-(triazol-1-yl)ethylamino]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 157016932
1-[2-tert-butyl-4-[3-(1H-imidazol-2-yl)propylamino]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 155916016
1-[2-tert-butyl-4-(1,2-oxazol-3-ylmethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
CID 155915741
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 135120730
1-[4-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)piperidin-1-yl]-2-ethoxyethanone
CID 163317064
2-(2-amino-1,3-thiazol-4-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62798011
1'-butyl-N-(3-imidazol-1-ylpropyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
CID 155909741

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone?
The IUPAC name of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone (CID 155918154) is [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone is Cc1nc(NCCc2csc(N)n2)c2c(n1)C1(CCCN(C(=O)C3CC3)C1)CC2.
What is the InChIKey of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone?
The InChIKey is OESWMIZNSKFELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6OS/c1-13-24-17-16(18(25-13)23-9-6-15-11-29-20(22)26-15)5-8-21(17)7-2-10-27(12-21)19(28)14-3-4-14/h11,14H,2-10,12H2,1H3,(H2,22,26)(H,23,24,25).
What are the key properties of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone?
[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone has a molecular weight of 412.56 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-cyclopropylmethanone is sourced from PubChem (CID 155918154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).