6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine

C11H15ClN4O — CID 145282858

IUPAC6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine
SMILES[H]/N=C(\C)c1c(Cl)ncnc1NC1CCCCO1
InChIInChI=1S/C11H15ClN4O/c1-7(13)9-10(12)14-6-15-11(9)16-8-4-2-3-5-17-8/h6,8,13H,2-5H2,1H3,(H,14,15,16)/b13-7+
InChIKeyFEPWWMNVLYXHPP-NTUHNPAUSA-N
MW254.72 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine

6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine (PubChem CID 145282858) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine
PubChem CID145282858
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine
SMILES[H]/N=C(\C)c1c(Cl)ncnc1NC1CCCCO1
InChIInChI=1S/C11H15ClN4O/c1-7(13)9-10(12)14-6-15-11(9)16-8-4-2-3-5-17-8/h6,8,13H,2-5H2,1H3,(H,14,15,16)/b13-7+
InChIKeyFEPWWMNVLYXHPP-NTUHNPAUSA-N
XLogP2.46
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine (CID 145282858) is 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine is [H]/N=C(\C)c1c(Cl)ncnc1NC1CCCCO1.
What is the InChIKey of 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine?
The InChIKey is FEPWWMNVLYXHPP-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7(13)9-10(12)14-6-15-11(9)16-8-4-2-3-5-17-8/h6,8,13H,2-5H2,1H3,(H,14,15,16)/b13-7+.
What are the key properties of 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine?
6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine has a molecular weight of 254.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethanimidoyl-N-(oxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 145282858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).