N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

C17H22N6O — CID 102604117

IUPACN,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(C2(C)CCCN2c2cc(C)ncn2)n1
InChIInChI=1S/C17H22N6O/c1-11-9-14(20-10-19-11)23-7-5-6-17(23,3)16-21-12(2)8-13(22-16)15(24)18-4/h8-10H,5-7H2,1-4H3,(H,18,24)
InChIKeySVCDBXNAJSQMQB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.76
Rot. Bonds3

About N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide

N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 102604117) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID102604117
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(C2(C)CCCN2c2cc(C)ncn2)n1
InChIInChI=1S/C17H22N6O/c1-11-9-14(20-10-19-11)23-7-5-6-17(23,3)16-21-12(2)8-13(22-16)15(24)18-4/h8-10H,5-7H2,1-4H3,(H,18,24)
InChIKeySVCDBXNAJSQMQB-UHFFFAOYSA-N
XLogP1.76
TPSA83.90 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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 102604117) is N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc(C2(C)CCCN2c2cc(C)ncn2)n1.
What is the InChIKey of N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is SVCDBXNAJSQMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-9-14(20-10-19-11)23-7-5-6-17(23,3)16-21-12(2)8-13(22-16)15(24)18-4/h8-10H,5-7H2,1-4H3,(H,18,24).
What are the key properties of N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 102604117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).