4-N-phenylpyrimidine-4,6-diamine

C10H10N4 — CID 3031502

IUPAC4-N-phenylpyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C10H10N4/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)
InChIKeyQHMLYBPYRIVJDA-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.80
Rot. Bonds2

About 4-N-phenylpyrimidine-4,6-diamine

4-N-phenylpyrimidine-4,6-diamine (PubChem CID 3031502) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-phenylpyrimidine-4,6-diamine
PubChem CID3031502
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name4-N-phenylpyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C10H10N4/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)
InChIKeyQHMLYBPYRIVJDA-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
CID 66670014
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
2-N-phenylpyrazine-2,5-diamine
CID 80652109
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348

Frequently Asked Questions

What is the IUPAC name of 4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-phenylpyrimidine-4,6-diamine (CID 3031502) is 4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-phenylpyrimidine-4,6-diamine is Nc1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is QHMLYBPYRIVJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14).
What are the key properties of 4-N-phenylpyrimidine-4,6-diamine?
4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 186.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 3031502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).