3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

C13H22N4O — CID 113410782

IUPAC3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCc1cc(NCCC(=O)NCC(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-4-11-7-12(17-9-16-11)14-6-5-13(18)15-8-10(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyPDYJLWJZMRYAAQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.61
Rot. Bonds7

About 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113410782) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113410782
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCc1cc(NCCC(=O)NCC(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-4-11-7-12(17-9-16-11)14-6-5-13(18)15-8-10(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyPDYJLWJZMRYAAQ-UHFFFAOYSA-N
XLogP1.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113411201
1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
6-ethyl-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102699039
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410765
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (CID 113410782) is 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is CCc1cc(NCCC(=O)NCC(C)C)ncn1.
What is the InChIKey of 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is PDYJLWJZMRYAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11-7-12(17-9-16-11)14-6-5-13(18)15-8-10(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113410782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).