4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C16H24N6 — CID 133407759

IUPAC4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC1CCCCN1CCCNc1ncnc2nc(N)ccc12
InChIInChI=1S/C16H24N6/c1-12-5-2-3-9-22(12)10-4-8-18-15-13-6-7-14(17)21-16(13)20-11-19-15/h6-7,11-12H,2-5,8-10H2,1H3,(H3,17,18,19,20,21)
InChIKeyZVLXLIJDYLVMFF-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.28
Rot. Bonds5

About 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407759) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407759
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC1CCCCN1CCCNc1ncnc2nc(N)ccc12
InChIInChI=1S/C16H24N6/c1-12-5-2-3-9-22(12)10-4-8-18-15-13-6-7-14(17)21-16(13)20-11-19-15/h6-7,11-12H,2-5,8-10H2,1H3,(H3,17,18,19,20,21)
InChIKeyZVLXLIJDYLVMFF-UHFFFAOYSA-N
XLogP2.28
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154866636
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070
4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040
4-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407819
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407759) is 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CC1CCCCN1CCCNc1ncnc2nc(N)ccc12.
What is the InChIKey of 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is ZVLXLIJDYLVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12-5-2-3-9-22(12)10-4-8-18-15-13-6-7-14(17)21-16(13)20-11-19-15/h6-7,11-12H,2-5,8-10H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).