[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C26H30FN5O — CID 110252773

IUPAC[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(Cc2ccc(F)cc2)cc(C2CCCN(C(=O)c3cc(C)nc(N(C)C)n3)C2)n1
InChIInChI=1S/C26H30FN5O/c1-17-12-20(14-19-7-9-22(27)10-8-19)15-23(28-17)21-6-5-11-32(16-21)25(33)24-13-18(2)29-26(30-24)31(3)4/h7-10,12-13,15,21H,5-6,11,14,16H2,1-4H3
InChIKeyMHQVOCXBUINRCC-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.30
Rot. Bonds5

About [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110252773) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110252773
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC Name[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(Cc2ccc(F)cc2)cc(C2CCCN(C(=O)c3cc(C)nc(N(C)C)n3)C2)n1
InChIInChI=1S/C26H30FN5O/c1-17-12-20(14-19-7-9-22(27)10-8-19)15-23(28-17)21-6-5-11-32(16-21)25(33)24-13-18(2)29-26(30-24)31(3)4/h7-10,12-13,15,21H,5-6,11,14,16H2,1-4H3
InChIKeyMHQVOCXBUINRCC-UHFFFAOYSA-N
XLogP4.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95814535
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814462
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
CID 91946817
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110091860
[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125010830
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109328238

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110252773) is [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(Cc2ccc(F)cc2)cc(C2CCCN(C(=O)c3cc(C)nc(N(C)C)n3)C2)n1.
What is the InChIKey of [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is MHQVOCXBUINRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-17-12-20(14-19-7-9-22(27)10-8-19)15-23(28-17)21-6-5-11-32(16-21)25(33)24-13-18(2)29-26(30-24)31(3)4/h7-10,12-13,15,21H,5-6,11,14,16H2,1-4H3.
What are the key properties of [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 447.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110252773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).