1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine

C26H26N6 — CID 142224056

IUPAC1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
SMILESC=C1C=C(c2ccncn2)N=C(N2CCCC(c3ccccc3-c3ccncc3)C2)N1C
InChIInChI=1S/C26H26N6/c1-19-16-25(24-11-14-28-18-29-24)30-26(31(19)2)32-15-5-6-21(17-32)23-8-4-3-7-22(23)20-9-12-27-13-10-20/h3-4,7-14,16,18,21H,1,5-6,15,17H2,2H3
InChIKeyFAIVUGCHZDDCCH-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.57
Rot. Bonds3

About 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine

1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine (PubChem CID 142224056) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
PubChem CID142224056
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
SMILESC=C1C=C(c2ccncn2)N=C(N2CCCC(c3ccccc3-c3ccncc3)C2)N1C
InChIInChI=1S/C26H26N6/c1-19-16-25(24-11-14-28-18-29-24)30-26(31(19)2)32-15-5-6-21(17-32)23-8-4-3-7-22(23)20-9-12-27-13-10-20/h3-4,7-14,16,18,21H,1,5-6,15,17H2,2H3
InChIKeyFAIVUGCHZDDCCH-UHFFFAOYSA-N
XLogP4.57
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The IUPAC name of 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine (CID 142224056) is 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine is C=C1C=C(c2ccncn2)N=C(N2CCCC(c3ccccc3-c3ccncc3)C2)N1C.
What is the InChIKey of 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The InChIKey is FAIVUGCHZDDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-19-16-25(24-11-14-28-18-29-24)30-26(31(19)2)32-15-5-6-21(17-32)23-8-4-3-7-22(23)20-9-12-27-13-10-20/h3-4,7-14,16,18,21H,1,5-6,15,17H2,2H3.
What are the key properties of 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine has a molecular weight of 422.54 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 142224056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).