6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine

C13H17N5O — CID 128977675

IUPAC6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)ncn1
InChIInChI=1S/C13H17N5O/c1-9-7-11(16-8-15-9)17-10-3-6-19-12(10)13-14-4-5-18(13)2/h4-5,7-8,10,12H,3,6H2,1-2H3,(H,15,16,17)/t10-,12-/m0/s1
InChIKeyVZWFQUCRTAJIDM-JQWIXIFHSA-N
MW259.31 g/mol
LogP1.46
Rot. Bonds3

About 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine

6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 128977675) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID128977675
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)ncn1
InChIInChI=1S/C13H17N5O/c1-9-7-11(16-8-15-9)17-10-3-6-19-12(10)13-14-4-5-18(13)2/h4-5,7-8,10,12H,3,6H2,1-2H3,(H,15,16,17)/t10-,12-/m0/s1
InChIKeyVZWFQUCRTAJIDM-JQWIXIFHSA-N
XLogP1.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128972109
6-methyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82728623
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 128972404
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 154794373
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 167925059
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-6-methylpyrimidin-4-amine
CID 133364679
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
3-(3-chlorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-amine
CID 154755872

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine (CID 128977675) is 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine is Cc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)ncn1.
What is the InChIKey of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is VZWFQUCRTAJIDM-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-11(16-8-15-9)17-10-3-6-19-12(10)13-14-4-5-18(13)2/h4-5,7-8,10,12H,3,6H2,1-2H3,(H,15,16,17)/t10-,12-/m0/s1.
What are the key properties of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine?
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 128977675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).