N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide

C12H18N4O2 — CID 84600278

IUPACN-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(C)C2C)ncn1
InChIInChI=1S/C12H18N4O2/c1-8-4-5-16(9(8)2)12(17)15-10-6-11(18-3)14-7-13-10/h6-9H,4-5H2,1-3H3,(H,13,14,15,17)
InChIKeyVHAVNXXUEVMCBE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.75
Rot. Bonds2

About N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide

N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide (PubChem CID 84600278) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
PubChem CID84600278
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(C)C2C)ncn1
InChIInChI=1S/C12H18N4O2/c1-8-4-5-16(9(8)2)12(17)15-10-6-11(18-3)14-7-13-10/h6-9H,4-5H2,1-3H3,(H,13,14,15,17)
InChIKeyVHAVNXXUEVMCBE-UHFFFAOYSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,7aS)-N-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97350302
N-(6-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 75454069
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751
N-(6-methoxypyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 84601052
4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 138043020
4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 138043019
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 106322063
5-cyclopropyl-N-(6-methoxypyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 71795751
N-(6-methoxypyrimidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118124781
(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124845
(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124849
(6R)-N-(6-methoxypyrimidin-4-yl)-10-[3-(trifluoromethyl)phenyl]-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
CID 118974231

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide (CID 84600278) is N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCC(C)C2C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
The InChIKey is VHAVNXXUEVMCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-4-5-16(9(8)2)12(17)15-10-6-11(18-3)14-7-13-10/h6-9H,4-5H2,1-3H3,(H,13,14,15,17).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 84600278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).