6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

C17H21N7 — CID 90016593

IUPAC6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCn1ccnc1CC1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H21N7/c1-23-8-6-19-15(23)9-12-3-2-7-24(10-12)14-5-4-13-16(22-14)17(18)21-11-20-13/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H2,18,20,21)
InChIKeyLMTQDRUPAMBYHY-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.80
Rot. Bonds3

About 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90016593) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90016593
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCn1ccnc1CC1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H21N7/c1-23-8-6-19-15(23)9-12-3-2-7-24(10-12)14-5-4-13-16(22-14)17(18)21-11-20-13/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H2,18,20,21)
InChIKeyLMTQDRUPAMBYHY-UHFFFAOYSA-N
XLogP1.80
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 90016593) is 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is Cn1ccnc1CC1CCCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is LMTQDRUPAMBYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-23-8-6-19-15(23)9-12-3-2-7-24(10-12)14-5-4-13-16(22-14)17(18)21-11-20-13/h4-6,8,11-12H,2-3,7,9-10H2,1H3,(H2,18,20,21).
What are the key properties of 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90016593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).