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

C18H24N6O — CID 102604120

IUPACN,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)nc(C2(C)CCCN2c2ccnc(C)n2)n1
InChIInChI=1S/C18H24N6O/c1-12-11-14(16(25)23(4)5)22-17(20-12)18(3)8-6-10-24(18)15-7-9-19-13(2)21-15/h7,9,11H,6,8,10H2,1-5H3
InChIKeyBIMOAOVCBDWVQQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.10
Rot. Bonds3

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

N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 102604120) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID102604120
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)nc(C2(C)CCCN2c2ccnc(C)n2)n1
InChIInChI=1S/C18H24N6O/c1-12-11-14(16(25)23(4)5)22-17(20-12)18(3)8-6-10-24(18)15-7-9-19-13(2)21-15/h7,9,11H,6,8,10H2,1-5H3
InChIKeyBIMOAOVCBDWVQQ-UHFFFAOYSA-N
XLogP2.10
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 102604120) is N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)C)nc(C2(C)CCCN2c2ccnc(C)n2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is BIMOAOVCBDWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-11-14(16(25)23(4)5)22-17(20-12)18(3)8-6-10-24(18)15-7-9-19-13(2)21-15/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 102604120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).