N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide

C14H22N4O2 — CID 115975222

IUPACN-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
SMILESCc1cc(OC(C)C)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-9(2)20-13-8-10(3)16-14(18-13)15-7-6-12(19)17-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyQWXHRVVKIPVVJB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.65
Rot. Bonds7

About N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide

N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide (PubChem CID 115975222) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
PubChem CID115975222
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
SMILESCc1cc(OC(C)C)nc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C14H22N4O2/c1-9(2)20-13-8-10(3)16-14(18-13)15-7-6-12(19)17-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyQWXHRVVKIPVVJB-UHFFFAOYSA-N
XLogP1.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
CID 80848551
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide (CID 115975222) is N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide is Cc1cc(OC(C)C)nc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide?
The InChIKey is QWXHRVVKIPVVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)20-13-8-10(3)16-14(18-13)15-7-6-12(19)17-11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide?
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 115975222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).