N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide

C10H15ClN4O2 — CID 114052879

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-12-5-4-8(16)14-10-13-7(11)6-9(15-10)17-2/h6,12H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyJLMANZJTRIHKLP-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.08
Rot. Bonds6

About N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide (PubChem CID 114052879) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
PubChem CID114052879
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-12-5-4-8(16)14-10-13-7(11)6-9(15-10)17-2/h6,12H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyJLMANZJTRIHKLP-UHFFFAOYSA-N
XLogP1.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
CID 114052914
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide
CID 114053506
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
CID 27255463
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 114053520

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide (CID 114052879) is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1nc(Cl)cc(OC)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide?
The InChIKey is JLMANZJTRIHKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-12-5-4-8(16)14-10-13-7(11)6-9(15-10)17-2/h6,12H,3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide has a molecular weight of 258.71 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide is sourced from PubChem (CID 114052879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).