3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine

C12H16N4 — CID 173102072

IUPAC3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine
SMILESCC1C=C(Nc2ccccc2)N=C(N)N1C
InChIInChI=1S/C12H16N4/c1-9-8-11(15-12(13)16(9)2)14-10-6-4-3-5-7-10/h3-9,14H,1-2H3,(H2,13,15)
InChIKeyQBNLWBSRUNXUPR-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.59
Rot. Bonds2

About 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine

3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine (PubChem CID 173102072) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine
PubChem CID173102072
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine
SMILESCC1C=C(Nc2ccccc2)N=C(N)N1C
InChIInChI=1S/C12H16N4/c1-9-8-11(15-12(13)16(9)2)14-10-6-4-3-5-7-10/h3-9,14H,1-2H3,(H2,13,15)
InChIKeyQBNLWBSRUNXUPR-UHFFFAOYSA-N
XLogP1.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine?
The IUPAC name of 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine (CID 173102072) is 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine.
What is the SMILES notation for 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine?
The canonical SMILES for 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine is CC1C=C(Nc2ccccc2)N=C(N)N1C.
What is the InChIKey of 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine?
The InChIKey is QBNLWBSRUNXUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-8-11(15-12(13)16(9)2)14-10-6-4-3-5-7-10/h3-9,14H,1-2H3,(H2,13,15).
What are the key properties of 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine?
3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-N-phenyl-4H-pyrimidine-2,6-diamine is sourced from PubChem (CID 173102072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).