4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine

C16H22N4 — CID 106332100

IUPAC4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCCC(C)(CC)Nc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-16(3,5-2)20-14-11-13(17)18-15(19-14)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyBTNGVBOOQUFQJR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds5

About 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine

4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 106332100) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
PubChem CID106332100
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
SMILESCCC(C)(CC)Nc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-16(3,5-2)20-14-11-13(17)18-15(19-14)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyBTNGVBOOQUFQJR-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 115915522
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915604
6-(3,3-dimethylbutoxy)-2-phenylpyrimidin-4-amine
CID 115915949
2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 115915460
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine (CID 106332100) is 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine is CCC(C)(CC)Nc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is BTNGVBOOQUFQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-16(3,5-2)20-14-11-13(17)18-15(19-14)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine?
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 106332100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).