2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine

C22H35N3 — CID 140901285

IUPAC2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESC=C1NC(C)=NC2=C1CCN(C(=C)C(C(C)C)C1CCC(C)CC1)C2
InChIInChI=1S/C22H35N3/c1-14(2)22(19-9-7-15(3)8-10-19)17(5)25-12-11-20-16(4)23-18(6)24-21(20)13-25/h14-15,19,22H,4-5,7-13H2,1-3,6H3,(H,23,24)
InChIKeyJPGXQAQXKFSKES-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.09
Rot. Bonds4

About 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine

2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 140901285) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID140901285
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESC=C1NC(C)=NC2=C1CCN(C(=C)C(C(C)C)C1CCC(C)CC1)C2
InChIInChI=1S/C22H35N3/c1-14(2)22(19-9-7-15(3)8-10-19)17(5)25-12-11-20-16(4)23-18(6)24-21(20)13-25/h14-15,19,22H,4-5,7-13H2,1-3,6H3,(H,23,24)
InChIKeyJPGXQAQXKFSKES-UHFFFAOYSA-N
XLogP5.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine (CID 140901285) is 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine is C=C1NC(C)=NC2=C1CCN(C(=C)C(C(C)C)C1CCC(C)CC1)C2.
What is the InChIKey of 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is JPGXQAQXKFSKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3/c1-14(2)22(19-9-7-15(3)8-10-19)17(5)25-12-11-20-16(4)23-18(6)24-21(20)13-25/h14-15,19,22H,4-5,7-13H2,1-3,6H3,(H,23,24).
What are the key properties of 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine?
2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 341.54 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-7-[4-methyl-3-(4-methylcyclohexyl)pent-1-en-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 140901285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).