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

C16H19N7 — CID 90016695

IUPAC6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCn1ccnc1CC1CCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C16H19N7/c1-22-7-5-18-14(22)8-11-4-6-23(9-11)13-3-2-12-15(21-13)16(17)20-10-19-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H2,17,19,20)
InChIKeyMEEBGQFGMJKBDZ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.41
Rot. Bonds3

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

6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90016695) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90016695
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCn1ccnc1CC1CCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C16H19N7/c1-22-7-5-18-14(22)8-11-4-6-23(9-11)13-3-2-12-15(21-13)16(17)20-10-19-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H2,17,19,20)
InChIKeyMEEBGQFGMJKBDZ-UHFFFAOYSA-N
XLogP1.41
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.41
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]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 90016695) is 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is Cn1ccnc1CC1CCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is MEEBGQFGMJKBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-22-7-5-18-14(22)8-11-4-6-23(9-11)13-3-2-12-15(21-13)16(17)20-10-19-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H2,17,19,20).
What are the key properties of 6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 1.41, 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]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90016695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).