1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C17H22N6 — CID 135114667

IUPAC1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESNc1ncc2c(n1)C1(CCCN(Cc3cccnc3N)C1)CC2
InChIInChI=1S/C17H22N6/c18-15-13(3-1-7-20-15)10-23-8-2-5-17(11-23)6-4-12-9-21-16(19)22-14(12)17/h1,3,7,9H,2,4-6,8,10-11H2,(H2,18,20)(H2,19,21,22)
InChIKeyNFZUUGSBVZJGKA-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.52
Rot. Bonds2

About 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135114667) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135114667
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESNc1ncc2c(n1)C1(CCCN(Cc3cccnc3N)C1)CC2
InChIInChI=1S/C17H22N6/c18-15-13(3-1-7-20-15)10-23-8-2-5-17(11-23)6-4-12-9-21-16(19)22-14(12)17/h1,3,7,9H,2,4-6,8,10-11H2,(H2,18,20)(H2,19,21,22)
InChIKeyNFZUUGSBVZJGKA-UHFFFAOYSA-N
XLogP1.52
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine with MolForge

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Related Compounds

1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
1'-[(2-methoxy-3-pyridinyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163308924
1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135090538
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97119136
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-cyclopentylethanone
CID 135102067
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone
CID 135103905
1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164691339
1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698052
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135114667) is 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is Nc1ncc2c(n1)C1(CCCN(Cc3cccnc3N)C1)CC2.
What is the InChIKey of 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is NFZUUGSBVZJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c18-15-13(3-1-7-20-15)10-23-8-2-5-17(11-23)6-4-12-9-21-16(19)22-14(12)17/h1,3,7,9H,2,4-6,8,10-11H2,(H2,18,20)(H2,19,21,22).
What are the key properties of 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 310.40 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135114667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).