N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide

C13H22N4O — CID 114220233

IUPACN-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCN(CC)C(=O)c1cc(C)nc(NCC)n1
InChIInChI=1S/C13H22N4O/c1-5-8-17(7-3)12(18)11-9-10(4)15-13(16-11)14-6-2/h9H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyIIGUULCQFGDFRO-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.09
Rot. Bonds6

About N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide

N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 114220233) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID114220233
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCN(CC)C(=O)c1cc(C)nc(NCC)n1
InChIInChI=1S/C13H22N4O/c1-5-8-17(7-3)12(18)11-9-10(4)15-13(16-11)14-6-2/h9H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyIIGUULCQFGDFRO-UHFFFAOYSA-N
XLogP2.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109327813
N,N-diethyl-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320864
2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328844
2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328451
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323908
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334233
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320873
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide (CID 114220233) is N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide is CCCN(CC)C(=O)c1cc(C)nc(NCC)n1.
What is the InChIKey of N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is IIGUULCQFGDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-8-17(7-3)12(18)11-9-10(4)15-13(16-11)14-6-2/h9H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 114220233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).