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

C27H27N5 — CID 142224103

IUPAC1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
SMILESC=C1C=C(c2ccncn2)N=C(N2CCCC(c3ccc(-c4ccccc4)cc3)C2)N1C
InChIInChI=1S/C27H27N5/c1-20-17-26(25-14-15-28-19-29-25)30-27(31(20)2)32-16-6-9-24(18-32)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-15,17,19,24H,1,6,9,16,18H2,2H3
InChIKeyVOHXMISTLKONTA-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.18
Rot. Bonds3

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

1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine (PubChem CID 142224103) has the molecular formula C27H27N5 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
PubChem CID142224103
Molecular FormulaC27H27N5
Molecular Weight421.55 g/mol
Exact Mass421.23
IUPAC Name1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
SMILESC=C1C=C(c2ccncn2)N=C(N2CCCC(c3ccc(-c4ccccc4)cc3)C2)N1C
InChIInChI=1S/C27H27N5/c1-20-17-26(25-14-15-28-19-29-25)30-27(31(20)2)32-16-6-9-24(18-32)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-15,17,19,24H,1,6,9,16,18H2,2H3
InChIKeyVOHXMISTLKONTA-UHFFFAOYSA-N
XLogP5.18
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142224056
2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224010
2-[(3R)-3-(2-ethyl-6-methoxyphenyl)piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224060
2-[1-[1-(1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidin-2-yl)piperidin-3-yl]ethenyl]-3,4-dihydro-1H-isoquinoline
CID 142224109
1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
CID 142238726
1-methyl-6-methylidene-2-[4-methyl-3-(1-piperidin-1-ylethenyl)piperazin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142223992
2-[3-[1-(4-fluoro-2-methylphenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
CID 142238721
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
CID 122602482
[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-3-yl]-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)methanone
CID 142238752
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine
CID 67057689
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
CID 166360323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The IUPAC name of 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine (CID 142224103) is 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine.
What is the SMILES notation for 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The canonical SMILES for 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine is C=C1C=C(c2ccncn2)N=C(N2CCCC(c3ccc(-c4ccccc4)cc3)C2)N1C.
What is the InChIKey of 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
The InChIKey is VOHXMISTLKONTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5/c1-20-17-26(25-14-15-28-19-29-25)30-27(31(20)2)32-16-6-9-24(18-32)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-15,17,19,24H,1,6,9,16,18H2,2H3.
What are the key properties of 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine?
1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine has a molecular weight of 421.55 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine is sourced from PubChem (CID 142224103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).