2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C16H20ClN3 — CID 63484706

IUPAC2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-4-18-15-10-14(11(2)3)19-16(20-15)9-12-5-7-13(17)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyXDSGUEMKLZXXCG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.28
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine

2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 63484706) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID63484706
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN3/c1-4-18-15-10-14(11(2)3)19-16(20-15)9-12-5-7-13(17)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyXDSGUEMKLZXXCG-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 63484706) is 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1cc(C(C)C)nc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XDSGUEMKLZXXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-18-15-10-14(11(2)3)19-16(20-15)9-12-5-7-13(17)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63484706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).