[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone

C22H30N4O2 — CID 126449562

IUPAC[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone
SMILESCNc1cc(C)nc(-c2ccc(C(=O)N3CCC([C@@H](C)COC)CC3)cc2)n1
InChIInChI=1S/C22H30N4O2/c1-15(14-28-4)17-9-11-26(12-10-17)22(27)19-7-5-18(6-8-19)21-24-16(2)13-20(23-3)25-21/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,23,24,25)/t15-/m0/s1
InChIKeyPKKJMBBXMKHNLH-HNNXBMFYSA-N
MW382.51 g/mol
LogP3.63
Rot. Bonds6

About [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone

[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone (PubChem CID 126449562) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone
PubChem CID126449562
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone
SMILESCNc1cc(C)nc(-c2ccc(C(=O)N3CCC([C@@H](C)COC)CC3)cc2)n1
InChIInChI=1S/C22H30N4O2/c1-15(14-28-4)17-9-11-26(12-10-17)22(27)19-7-5-18(6-8-19)21-24-16(2)13-20(23-3)25-21/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,23,24,25)/t15-/m0/s1
InChIKeyPKKJMBBXMKHNLH-HNNXBMFYSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone with MolForge

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Related Compounds

2-[(2S)-1-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]benzoyl]piperidin-2-yl]acetamide
CID 126442451
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 126441594
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]methanone
CID 95867172
1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 56881213
2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118784674
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
N-(2-methoxyethyl)-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103501
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471
1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione
CID 125170714
[4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methylpyrimidin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117084999
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone?
The IUPAC name of [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone (CID 126449562) is [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone.
What is the SMILES notation for [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone?
The canonical SMILES for [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone is CNc1cc(C)nc(-c2ccc(C(=O)N3CCC([C@@H](C)COC)CC3)cc2)n1.
What is the InChIKey of [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone?
The InChIKey is PKKJMBBXMKHNLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(14-28-4)17-9-11-26(12-10-17)22(27)19-7-5-18(6-8-19)21-24-16(2)13-20(23-3)25-21/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone?
[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone has a molecular weight of 382.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-[4-[4-methyl-6-(methylamino)pyrimidin-2-yl]phenyl]methanone is sourced from PubChem (CID 126449562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).