2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide

C17H22N6O — CID 125007591

IUPAC2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)n1
InChIInChI=1S/C17H22N6O/c1-10-8-11(2)21-16(20-10)23-7-5-6-17(23,4)15-19-12(3)9-13(22-15)14(18)24/h8-9H,5-7H2,1-4H3,(H2,18,24)/t17-/m0/s1
InChIKeyUOTHYSCFKNBKFY-KRWDZBQOSA-N
MW326.40 g/mol
LogP1.81
Rot. Bonds3

About 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide

2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 125007591) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID125007591
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)n1
InChIInChI=1S/C17H22N6O/c1-10-8-11(2)21-16(20-10)23-7-5-6-17(23,4)15-19-12(3)9-13(22-15)14(18)24/h8-9H,5-7H2,1-4H3,(H2,18,24)/t17-/m0/s1
InChIKeyUOTHYSCFKNBKFY-KRWDZBQOSA-N
XLogP1.81
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide (CID 125007591) is 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C)nc(N2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)n1.
What is the InChIKey of 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is UOTHYSCFKNBKFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10-8-11(2)21-16(20-10)23-7-5-6-17(23,4)15-19-12(3)9-13(22-15)14(18)24/h8-9H,5-7H2,1-4H3,(H2,18,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 125007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).