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

C18H24N6O — CID 102604118

IUPACN,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(N2CCCC2(C)c2nc(C)cc(C(=O)N(C)C)n2)ncn1
InChIInChI=1S/C18H24N6O/c1-12-10-15(20-11-19-12)24-8-6-7-18(24,3)17-21-13(2)9-14(22-17)16(25)23(4)5/h9-11H,6-8H2,1-5H3
InChIKeyLIBYBCBNINWHQK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.10
Rot. Bonds3

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

N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 102604118) 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-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID102604118
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(N2CCCC2(C)c2nc(C)cc(C(=O)N(C)C)n2)ncn1
InChIInChI=1S/C18H24N6O/c1-12-10-15(20-11-19-12)24-8-6-7-18(24,3)17-21-13(2)9-14(22-17)16(25)23(4)5/h9-11H,6-8H2,1-5H3
InChIKeyLIBYBCBNINWHQK-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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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
4-({3-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}carbonyl)-2,6-dimethylpyrimidine
CID 46983296
N-isopropyl-2,6-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 50954229
2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
CID 50983198
3-[2-(Dimethylamino)ethyl]-8-[(2,6-dimethylpyrimidin-4-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70743461
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 72143173
N,6-dimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 102604117
N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 102604120
6-Methyl-2-[2-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 102604124
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 118740256
7-(Cyclobutylmethyl)-2-[(2,6-dimethyl-4-pyrimidinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871091
2,6-dimethyl-N-[(5-methyl-2-pyrazinyl)methyl]-4-pyrimidinecarboxamide
CID 28078758

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 102604118) is N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is Cc1cc(N2CCCC2(C)c2nc(C)cc(C(=O)N(C)C)n2)ncn1.
What is the InChIKey of N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is LIBYBCBNINWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-10-15(20-11-19-12)24-8-6-7-18(24,3)17-21-13(2)9-14(22-17)16(25)23(4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of N,N,6-trimethyl-2-[2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide?
N,N,6-trimethyl-2-[2-methyl-1-(6-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-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 102604118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).