(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

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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).