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

C16H18ClN5O2 — CID 90189773

IUPAC[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone
SMILESCNc1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc(N)n1
InChIInChI=1S/C16H18ClN5O2/c1-19-14-9-13(20-16(18)21-14)10-2-3-11(12(17)8-10)15(23)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H3,18,19,20,21)
InChIKeyKVZPXKKNPKFISV-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.89
Rot. Bonds3

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

[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone (PubChem CID 90189773) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone
PubChem CID90189773
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone
SMILESCNc1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc(N)n1
InChIInChI=1S/C16H18ClN5O2/c1-19-14-9-13(20-16(18)21-14)10-2-3-11(12(17)8-10)15(23)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H3,18,19,20,21)
InChIKeyKVZPXKKNPKFISV-UHFFFAOYSA-N
XLogP1.89
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone (CID 90189773) is [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone is CNc1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)nc(N)n1.
What is the InChIKey of [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone?
The InChIKey is KVZPXKKNPKFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-19-14-9-13(20-16(18)21-14)10-2-3-11(12(17)8-10)15(23)22-4-6-24-7-5-22/h2-3,8-9H,4-7H2,1H3,(H3,18,19,20,21).
What are the key properties of [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone?
[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone has a molecular weight of 347.81 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-chlorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90189773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).