N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide

C12H20N4O — CID 120831989

IUPACN-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCNC(C)CNC(=O)c1cncnc1C(C)C
InChIInChI=1S/C12H20N4O/c1-8(2)11-10(6-14-7-16-11)12(17)15-5-9(3)13-4/h6-9,13H,5H2,1-4H3,(H,15,17)
InChIKeyYRMJMRXOLMJHQB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide

N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 120831989) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID120831989
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCNC(C)CNC(=O)c1cncnc1C(C)C
InChIInChI=1S/C12H20N4O/c1-8(2)11-10(6-14-7-16-11)12(17)15-5-9(3)13-4/h6-9,13H,5H2,1-4H3,(H,15,17)
InChIKeyYRMJMRXOLMJHQB-UHFFFAOYSA-N
XLogP0.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 154739648
N-(2-amino-1-cyclohexylethyl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 119590078
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 119475953
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 119653982
4-methyl-N-[2-(methylamino)propyl]quinoline-3-carboxamide
CID 120830745
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 120605495
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 119456604

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide (CID 120831989) is N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide is CNC(C)CNC(=O)c1cncnc1C(C)C.
What is the InChIKey of N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is YRMJMRXOLMJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)11-10(6-14-7-16-11)12(17)15-5-9(3)13-4/h6-9,13H,5H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide?
N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 120831989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).