1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C19H28N6 — CID 135090538

IUPAC1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCCn1nc(C)c(CN2CCCC3(CCc4cnc(N)nc43)C2)c1C
InChIInChI=1S/C19H28N6/c1-4-25-14(3)16(13(2)23-25)11-24-9-5-7-19(12-24)8-6-15-10-21-18(20)22-17(15)19/h10H,4-9,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyNJAXGYQNSJNLNB-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.37
Rot. Bonds3

About 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135090538) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135090538
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCCn1nc(C)c(CN2CCCC3(CCc4cnc(N)nc43)C2)c1C
InChIInChI=1S/C19H28N6/c1-4-25-14(3)16(13(2)23-25)11-24-9-5-7-19(12-24)8-6-15-10-21-18(20)22-17(15)19/h10H,4-9,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyNJAXGYQNSJNLNB-UHFFFAOYSA-N
XLogP2.37
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine with MolForge

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Related Compounds

1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135114667
3,5-dimethyl-4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 135120195
1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135098870
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
6-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octane
CID 97159669
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
1'-[(3-chlorothiophen-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135118798
N,N-dimethyl-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135107490
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-cyclopentylethanone
CID 135102067
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698052

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135090538) is 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is CCn1nc(C)c(CN2CCCC3(CCc4cnc(N)nc43)C2)c1C.
What is the InChIKey of 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is NJAXGYQNSJNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-4-25-14(3)16(13(2)23-25)11-24-9-5-7-19(12-24)8-6-15-10-21-18(20)22-17(15)19/h10H,4-9,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 340.48 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135090538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).