N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C12H20N4O — CID 102921196

IUPACN-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CN(CCCN)C(=O)c1cncnc1
InChIInChI=1S/C12H20N4O/c1-10(2)8-16(5-3-4-13)12(17)11-6-14-9-15-7-11/h6-7,9-10H,3-5,8,13H2,1-2H3
InChIKeyREMSZZXDQGIJBI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.92
Rot. Bonds6

About N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide

N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 102921196) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID102921196
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CN(CCCN)C(=O)c1cncnc1
InChIInChI=1S/C12H20N4O/c1-10(2)8-16(5-3-4-13)12(17)11-6-14-9-15-7-11/h6-7,9-10H,3-5,8,13H2,1-2H3
InChIKeyREMSZZXDQGIJBI-UHFFFAOYSA-N
XLogP0.92
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881
N-(3-amino-2-methylpropyl)-N-ethylpyrimidine-5-carboxamide
CID 102921194
N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 102809914
N-(3-aminopropyl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115836
N-(2-bromoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922718
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
3-N,3-N,5-N,5-N-tetrakis(2-aminoethyl)pyridine-3,5-dicarboxamide
CID 67532507
2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107434520
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 62365153

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 102921196) is N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide is CC(C)CN(CCCN)C(=O)c1cncnc1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is REMSZZXDQGIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)8-16(5-3-4-13)12(17)11-6-14-9-15-7-11/h6-7,9-10H,3-5,8,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102921196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).