[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone

C17H19ClN4O2 — CID 158154858

IUPAC[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone
SMILESCCc1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc(N)n1
InChIInChI=1S/C17H19ClN4O2/c1-2-12-10-15(21-17(19)20-12)11-3-4-13(14(18)9-11)16(23)22-5-7-24-8-6-22/h3-4,9-10H,2,5-8H2,1H3,(H2,19,20,21)
InChIKeyVNKUITGEBABYGX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.41
Rot. Bonds3

About [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone

[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone (PubChem CID 158154858) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone
PubChem CID158154858
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone
SMILESCCc1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc(N)n1
InChIInChI=1S/C17H19ClN4O2/c1-2-12-10-15(21-17(19)20-12)11-3-4-13(14(18)9-11)16(23)22-5-7-24-8-6-22/h3-4,9-10H,2,5-8H2,1H3,(H2,19,20,21)
InChIKeyVNKUITGEBABYGX-UHFFFAOYSA-N
XLogP2.41
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone (CID 158154858) is [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone is CCc1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone?
The InChIKey is VNKUITGEBABYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-2-12-10-15(21-17(19)20-12)11-3-4-13(14(18)9-11)16(23)22-5-7-24-8-6-22/h3-4,9-10H,2,5-8H2,1H3,(H2,19,20,21).
What are the key properties of [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone?
[4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone has a molecular weight of 346.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-ethylpyrimidin-4-yl)-2-chlorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158154858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).