6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide

C24H31N5O2 — CID 25183066

IUPAC6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2C)ncn1
InChIInChI=1S/C24H31N5O2/c1-3-10-28(14-18-6-7-18)22-13-21(25-16-26-22)24(31)27-20-9-8-19(12-17(20)2)15-29-11-4-5-23(29)30/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,27,31)
InChIKeyUVKLCGUSVILUHS-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.79
Rot. Bonds9

About 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide

6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 25183066) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide
PubChem CID25183066
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2C)ncn1
InChIInChI=1S/C24H31N5O2/c1-3-10-28(14-18-6-7-18)22-13-21(25-16-26-22)24(31)27-20-9-8-19(12-17(20)2)15-29-11-4-5-23(29)30/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,27,31)
InChIKeyUVKLCGUSVILUHS-UHFFFAOYSA-N
XLogP3.79
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548174
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548238
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
CID 15052873
1-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylbenzyl)azetidine-3-carboxylic acid
CID 46881623
N-(4-carbamoylphenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182778
N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921
2-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)acetic acid
CID 25182923
2-((4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzyl)(methyl)amino)acetic acid
CID 25182925
3-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)propanoic acid
CID 25182926

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide (CID 25183066) is 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2C)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is UVKLCGUSVILUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-3-10-28(14-18-6-7-18)22-13-21(25-16-26-22)24(31)27-20-9-8-19(12-17(20)2)15-29-11-4-5-23(29)30/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,27,31).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 25183066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).