3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

C12H20N4O2 — CID 113410765

IUPAC3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCCOc1cc(NCCC(=O)NC(C)C)ncn1
InChIInChI=1S/C12H20N4O2/c1-4-18-12-7-10(14-8-15-12)13-6-5-11(17)16-9(2)3/h7-9H,4-6H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyJIRGWBUPEBLLNW-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.20
Rot. Bonds7

About 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide

3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 113410765) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID113410765
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCCOc1cc(NCCC(=O)NC(C)C)ncn1
InChIInChI=1S/C12H20N4O2/c1-4-18-12-7-10(14-8-15-12)13-6-5-11(17)16-9(2)3/h7-9H,4-6H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyJIRGWBUPEBLLNW-UHFFFAOYSA-N
XLogP1.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-[(6-propoxypyrimidin-4-yl)amino]propanamide
CID 66329761
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 66325707
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 133485696
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187
2-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474919
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide (CID 113410765) is 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is CCOc1cc(NCCC(=O)NC(C)C)ncn1.
What is the InChIKey of 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is JIRGWBUPEBLLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-12-7-10(14-8-15-12)13-6-5-11(17)16-9(2)3/h7-9H,4-6H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide?
3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113410765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).