1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one

C24H30N4O3 — CID 90352695

IUPAC1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one
SMILESCc1ccc([C@@H]2CCCC(CNc3ncnc(C(=O)N4CCC(=O)CC4)c3C)O2)cc1
InChIInChI=1S/C24H30N4O3/c1-16-6-8-18(9-7-16)21-5-3-4-20(31-21)14-25-23-17(2)22(26-15-27-23)24(30)28-12-10-19(29)11-13-28/h6-9,15,20-21H,3-5,10-14H2,1-2H3,(H,25,26,27)/t20?,21-/m0/s1
InChIKeyQMPISZSAAHDYAR-LBAQZLPGSA-N
MW422.53 g/mol
LogP3.62
Rot. Bonds5

About 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one

1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one (PubChem CID 90352695) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one
PubChem CID90352695
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one
SMILESCc1ccc([C@@H]2CCCC(CNc3ncnc(C(=O)N4CCC(=O)CC4)c3C)O2)cc1
InChIInChI=1S/C24H30N4O3/c1-16-6-8-18(9-7-16)21-5-3-4-20(31-21)14-25-23-17(2)22(26-15-27-23)24(30)28-12-10-19(29)11-13-28/h6-9,15,20-21H,3-5,10-14H2,1-2H3,(H,25,26,27)/t20?,21-/m0/s1
InChIKeyQMPISZSAAHDYAR-LBAQZLPGSA-N
XLogP3.62
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one with MolForge

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Related Compounds

methanol;[5-methyl-6-[[(2R)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidin-4-yl]-[4-(oxan-4-ylamino)piperidin-1-yl]methanone;molecular hydrogen
CID 145225852
[4-[(3-fluorooxan-4-yl)methyl]piperidin-1-yl]-[5-methyl-6-[[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 122678069
[4-[(3-fluorooxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[[6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 123990319
(4-aminopiperidin-1-yl)-[5-methyl-6-[[(2S,6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 139546882
5-methoxy-6-[[6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 123487680
N-[1-[1-[6-[[6-(4-chlorophenyl)oxan-2-yl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 68515607
5-methyl-6-[[(6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 90360657
5-methyl-6-[[(2S,6R)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 68514829
5-methyl-6-[[(2R,6S)-6-(3-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 68502402
ethyl 5-methyl-6-[(6-phenyloxan-2-yl)methylamino]pyrimidine-4-carboxylate
CID 76669316
2-hydroxypropane-1,2,3-tricarboxylic acid;[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]-[5-methyl-6-[[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 135239237
[4-(5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)piperidin-1-yl]-[5-methyl-6-[[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 71502898

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one?
The IUPAC name of 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one (CID 90352695) is 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one is Cc1ccc([C@@H]2CCCC(CNc3ncnc(C(=O)N4CCC(=O)CC4)c3C)O2)cc1.
What is the InChIKey of 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one?
The InChIKey is QMPISZSAAHDYAR-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-6-8-18(9-7-16)21-5-3-4-20(31-21)14-25-23-17(2)22(26-15-27-23)24(30)28-12-10-19(29)11-13-28/h6-9,15,20-21H,3-5,10-14H2,1-2H3,(H,25,26,27)/t20?,21-/m0/s1.
What are the key properties of 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one?
1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one has a molecular weight of 422.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-[[(6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-one is sourced from PubChem (CID 90352695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).