(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one

C16H26N4O2 — CID 127265078

IUPAC(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCOCc1nc(C)cc(N[C@H](C(=O)N2CCCC2)C(C)C)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)15(16(21)20-7-5-6-8-20)19-13-9-12(3)17-14(18-13)10-22-4/h9,11,15H,5-8,10H2,1-4H3,(H,17,18,19)/t15-/m0/s1
InChIKeyNYVINOGHFZFIPP-HNNXBMFYSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one

(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 127265078) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID127265078
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCOCc1nc(C)cc(N[C@H](C(=O)N2CCCC2)C(C)C)n1
InChIInChI=1S/C16H26N4O2/c1-11(2)15(16(21)20-7-5-6-8-20)19-13-9-12(3)17-14(18-13)10-22-4/h9,11,15H,5-8,10H2,1-4H3,(H,17,18,19)/t15-/m0/s1
InChIKeyNYVINOGHFZFIPP-HNNXBMFYSA-N
XLogP1.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one with MolForge

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Related Compounds

N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
CID 110259530
3-((4-Amino-6-methylpyrimidin-2-yl)methyl)-1,3-oxazolidin-2-one hydrochloride
CID 165941407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)pivalamide
CID 71807381
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-2-ethylbutanamide
CID 72718149
N-[rel-(3R,4S)-1-(2-amino-6-methyl-4-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72883732
N~4~-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927896
2-[[2-(Methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 75380622
(3S)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxamide
CID 97878160
(2R)-N~1~-[(4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 121503580
N-{2-[(2-Butyl-6-methylpyrimidin-4-YL)amino]ethyl}morpholine-4-carboxamide
CID 121507924
6-[[(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl]amino]-2-ethylpyrimidine-4-carbonitrile
CID 129538608
(3S)-4-(4-amino-6-methylpyrimidin-2-yl)-3-ethylpiperazin-2-one
CID 129560868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 127265078) is (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one is COCc1nc(C)cc(N[C@H](C(=O)N2CCCC2)C(C)C)n1.
What is the InChIKey of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is NYVINOGHFZFIPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)15(16(21)20-7-5-6-8-20)19-13-9-12(3)17-14(18-13)10-22-4/h9,11,15H,5-8,10H2,1-4H3,(H,17,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 127265078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).