4-phenylpyrimidine-2,5-diamine

C10H10N4 — CID 89253384

IUPAC4-phenylpyrimidine-2,5-diamine
SMILESNc1ncc(N)c(-c2ccccc2)n1
InChIInChI=1S/C10H10N4/c11-8-6-13-10(12)14-9(8)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,13,14)
InChIKeyNAZORHVMBDYNQT-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.31
Rot. Bonds1

About 4-phenylpyrimidine-2,5-diamine

4-phenylpyrimidine-2,5-diamine (PubChem CID 89253384) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-phenylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-phenylpyrimidine-2,5-diamine
PubChem CID89253384
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name4-phenylpyrimidine-2,5-diamine
SMILESNc1ncc(N)c(-c2ccccc2)n1
InChIInChI=1S/C10H10N4/c11-8-6-13-10(12)14-9(8)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,13,14)
InChIKeyNAZORHVMBDYNQT-UHFFFAOYSA-N
XLogP1.31
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimidine-2,5-diamine?
The IUPAC name of 4-phenylpyrimidine-2,5-diamine (CID 89253384) is 4-phenylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-phenylpyrimidine-2,5-diamine?
The canonical SMILES for 4-phenylpyrimidine-2,5-diamine is Nc1ncc(N)c(-c2ccccc2)n1.
What is the InChIKey of 4-phenylpyrimidine-2,5-diamine?
The InChIKey is NAZORHVMBDYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-8-6-13-10(12)14-9(8)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,13,14).
What are the key properties of 4-phenylpyrimidine-2,5-diamine?
4-phenylpyrimidine-2,5-diamine has a molecular weight of 186.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrimidine-2,5-diamine is sourced from PubChem (CID 89253384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).