2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide

C12H20N4O2 — CID 75538633

IUPAC2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N(C)C)nc1COC
InChIInChI=1S/C12H20N4O2/c1-5-6-13-11(17)9-7-14-12(16(2)3)15-10(9)8-18-4/h7H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyZXEXZNQUGHAWMT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.83
Rot. Bonds6

About 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide

2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide (PubChem CID 75538633) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide
PubChem CID75538633
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N(C)C)nc1COC
InChIInChI=1S/C12H20N4O2/c1-5-6-13-11(17)9-7-14-12(16(2)3)15-10(9)8-18-4/h7H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyZXEXZNQUGHAWMT-UHFFFAOYSA-N
XLogP0.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(methoxymethyl)-2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate
CID 44320309
N-(2-methoxyethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 44615903
2-(dimethylamino)-N-(2-methoxyethyl)-4-methylpyrimidine-5-carboxamide
CID 46345475
2-(Dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 10679999
Methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate
CID 10704393
2-(dimethylamino)-4-(methoxymethyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 75538790
2-Amino-4-(methoxymethyl)-5-pyrimidinecarboxylic acid
CID 14639222
2-(Butylamino)-4-(methoxymethyl)-5-pyrimidinecarboxylic acid
CID 91915940
2-Amino-N-(1,4-dioxan-2-ylmethyl)-4-methylpyrimidine-5-carboxamide
CID 86286764
5-[(2,2-Dimethylmorpholin-4-yl)carbonyl]-4-methylpyrimidin-2-amine
CID 90653770
2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-4-methyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-carboxamide
CID 137399055
N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 140802867

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide (CID 75538633) is 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(N(C)C)nc1COC.
What is the InChIKey of 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is ZXEXZNQUGHAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-6-13-11(17)9-7-14-12(16(2)3)15-10(9)8-18-4/h7H,5-6,8H2,1-4H3,(H,13,17).
What are the key properties of 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide?
2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(methoxymethyl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 75538633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).