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

C18H30N6 — CID 66902953

IUPAC4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESC1CCCN(c2nc(NC3CCCNC3)nc3c2CNCC3)CC1
InChIInChI=1S/C18H30N6/c1-2-4-11-24(10-3-1)17-15-13-20-9-7-16(15)22-18(23-17)21-14-6-5-8-19-12-14/h14,19-20H,1-13H2,(H,21,22,23)
InChIKeyMBWVAXZRFCJECX-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.67
Rot. Bonds3

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

4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 66902953) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID66902953
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESC1CCCN(c2nc(NC3CCCNC3)nc3c2CNCC3)CC1
InChIInChI=1S/C18H30N6/c1-2-4-11-24(10-3-1)17-15-13-20-9-7-16(15)22-18(23-17)21-14-6-5-8-19-12-14/h14,19-20H,1-13H2,(H,21,22,23)
InChIKeyMBWVAXZRFCJECX-UHFFFAOYSA-N
XLogP1.67
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 66902953) is 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is C1CCCN(c2nc(NC3CCCNC3)nc3c2CNCC3)CC1.
What is the InChIKey of 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is MBWVAXZRFCJECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-2-4-11-24(10-3-1)17-15-13-20-9-7-16(15)22-18(23-17)21-14-6-5-8-19-12-14/h14,19-20H,1-13H2,(H,21,22,23).
What are the key properties of 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 330.48 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 66902953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).