[3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine

C27H42N4 — CID 146642191

IUPAC[3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine
SMILESC=C1C(CCN2CCC(C(C)C3C=CC(C)=CC3CN)CC2)=C(C)N=C2CCCCN12
InChIInChI=1S/C27H42N4/c1-19-8-9-25(24(17-19)18-28)20(2)23-10-14-30(15-11-23)16-12-26-21(3)29-27-7-5-6-13-31(27)22(26)4/h8-9,17,20,23-25H,4-7,10-16,18,28H2,1-3H3
InChIKeyYQOGETXHOYVHTD-UHFFFAOYSA-N
MW422.66 g/mol
LogP5.12
Rot. Bonds6

About [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine

[3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 146642191) has the molecular formula C27H42N4 and a molecular weight of 422.66 g/mol. Its IUPAC name is [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID146642191
Molecular FormulaC27H42N4
Molecular Weight422.66 g/mol
Exact Mass422.34
IUPAC Name[3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine
SMILESC=C1C(CCN2CCC(C(C)C3C=CC(C)=CC3CN)CC2)=C(C)N=C2CCCCN12
InChIInChI=1S/C27H42N4/c1-19-8-9-25(24(17-19)18-28)20(2)23-10-14-30(15-11-23)16-12-26-21(3)29-27-7-5-6-13-31(27)22(26)4/h8-9,17,20,23-25H,4-7,10-16,18,28H2,1-3H3
InChIKeyYQOGETXHOYVHTD-UHFFFAOYSA-N
XLogP5.12
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine (CID 146642191) is [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine is C=C1C(CCN2CCC(C(C)C3C=CC(C)=CC3CN)CC2)=C(C)N=C2CCCCN12.
What is the InChIKey of [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is YQOGETXHOYVHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4/c1-19-8-9-25(24(17-19)18-28)20(2)23-10-14-30(15-11-23)16-12-26-21(3)29-27-7-5-6-13-31(27)22(26)4/h8-9,17,20,23-25H,4-7,10-16,18,28H2,1-3H3.
What are the key properties of [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine?
[3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 422.66 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 146642191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).