4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C19H32N6 — CID 66902826

IUPAC4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCN1CCCC1CNc1nc2c(c(N3CCCCCC3)n1)CNCC2
InChIInChI=1S/C19H32N6/c1-24-10-6-7-15(24)13-21-19-22-17-8-9-20-14-16(17)18(23-19)25-11-4-2-3-5-12-25/h15,20H,2-14H2,1H3,(H,21,22,23)
InChIKeyUUROKISKUSRDRL-UHFFFAOYSA-N
MW344.51 g/mol
LogP2.01
Rot. Bonds4

About 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 66902826) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID66902826
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCN1CCCC1CNc1nc2c(c(N3CCCCCC3)n1)CNCC2
InChIInChI=1S/C19H32N6/c1-24-10-6-7-15(24)13-21-19-22-17-8-9-20-14-16(17)18(23-19)25-11-4-2-3-5-12-25/h15,20H,2-14H2,1H3,(H,21,22,23)
InChIKeyUUROKISKUSRDRL-UHFFFAOYSA-N
XLogP2.01
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 66902826) is 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is CN1CCCC1CNc1nc2c(c(N3CCCCCC3)n1)CNCC2.
What is the InChIKey of 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is UUROKISKUSRDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-24-10-6-7-15(24)13-21-19-22-17-8-9-20-14-16(17)18(23-19)25-11-4-2-3-5-12-25/h15,20H,2-14H2,1H3,(H,21,22,23).
What are the key properties of 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 344.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 66902826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).