5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine

C13H14ClN3 — CID 167627477

IUPAC5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1N=C(N)N=C(CC)C1c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3/c1-3-11-12(8(2)16-13(15)17-11)9-4-6-10(14)7-5-9/h4-7,12H,2-3H2,1H3,(H2,15,16)
InChIKeyQMTJEFFXWKPCLS-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.12
Rot. Bonds2

About 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine

5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine (PubChem CID 167627477) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine
PubChem CID167627477
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine
SMILESC=C1N=C(N)N=C(CC)C1c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3/c1-3-11-12(8(2)16-13(15)17-11)9-4-6-10(14)7-5-9/h4-7,12H,2-3H2,1H3,(H2,15,16)
InChIKeyQMTJEFFXWKPCLS-UHFFFAOYSA-N
XLogP3.12
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine (CID 167627477) is 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine is C=C1N=C(N)N=C(CC)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine?
The InChIKey is QMTJEFFXWKPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-3-11-12(8(2)16-13(15)17-11)9-4-6-10(14)7-5-9/h4-7,12H,2-3H2,1H3,(H2,15,16).
What are the key properties of 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine?
5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-ethyl-6-methylidene-5H-pyrimidin-2-amine is sourced from PubChem (CID 167627477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).