5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine

C14H15BrN4 — CID 67217810

IUPAC5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine
SMILESCc1ccc(-c2cnc(N)nc2NC2CC2)cc1Br
InChIInChI=1S/C14H15BrN4/c1-8-2-3-9(6-12(8)15)11-7-17-14(16)19-13(11)18-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H3,16,17,18,19)
InChIKeyUKNQRESXPYMNIY-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.37
Rot. Bonds3

About 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine

5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine (PubChem CID 67217810) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine
PubChem CID67217810
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine
SMILESCc1ccc(-c2cnc(N)nc2NC2CC2)cc1Br
InChIInChI=1S/C14H15BrN4/c1-8-2-3-9(6-12(8)15)11-7-17-14(16)19-13(11)18-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H3,16,17,18,19)
InChIKeyUKNQRESXPYMNIY-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine (CID 67217810) is 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine is Cc1ccc(-c2cnc(N)nc2NC2CC2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine?
The InChIKey is UKNQRESXPYMNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-8-2-3-9(6-12(8)15)11-7-17-14(16)19-13(11)18-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H3,16,17,18,19).
What are the key properties of 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine?
5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine has a molecular weight of 319.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine is sourced from PubChem (CID 67217810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).