4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

C14H23N5 — CID 3421878

IUPAC4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
SMILESCN1CCCC(c2nc(N)nc3c2CCCCN3)C1
InChIInChI=1S/C14H23N5/c1-19-8-4-5-10(9-19)12-11-6-2-3-7-16-13(11)18-14(15)17-12/h10H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyWFRCWHAOMOVDPN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.62
Rot. Bonds1

About 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine (PubChem CID 3421878) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
PubChem CID3421878
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
SMILESCN1CCCC(c2nc(N)nc3c2CCCCN3)C1
InChIInChI=1S/C14H23N5/c1-19-8-4-5-10(9-19)12-11-6-2-3-7-16-13(11)18-14(15)17-12/h10H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyWFRCWHAOMOVDPN-UHFFFAOYSA-N
XLogP1.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine (CID 3421878) is 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine is CN1CCCC(c2nc(N)nc3c2CCCCN3)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The InChIKey is WFRCWHAOMOVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-19-8-4-5-10(9-19)12-11-6-2-3-7-16-13(11)18-14(15)17-12/h10H,2-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine is sourced from PubChem (CID 3421878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).