6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine

C15H20N4 — CID 44531189

IUPAC6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N4/c1-4-12-13(14(16)19-15(17)18-12)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H4,16,17,18,19)
InChIKeyRJQPQBNJVHZABT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds3

About 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine

6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 44531189) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID44531189
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N4/c1-4-12-13(14(16)19-15(17)18-12)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H4,16,17,18,19)
InChIKeyRJQPQBNJVHZABT-UHFFFAOYSA-N
XLogP2.99
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 44531189) is 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is RJQPQBNJVHZABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-12-13(14(16)19-15(17)18-12)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3,(H4,16,17,18,19).
What are the key properties of 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44531189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).