6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine

C16H22N4 — CID 112863776

IUPAC6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C16H22N4/c1-5-20(13-9-7-6-8-10-13)15-11-14(17-12-18-15)19-16(2,3)4/h6-12H,5H2,1-4H3,(H,17,18,19)
InChIKeyYBXFOOLLHOOKMD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds4

About 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine

6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112863776) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112863776
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C16H22N4/c1-5-20(13-9-7-6-8-10-13)15-11-14(17-12-18-15)19-16(2,3)4/h6-12H,5H2,1-4H3,(H,17,18,19)
InChIKeyYBXFOOLLHOOKMD-UHFFFAOYSA-N
XLogP3.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
3-(N-[6-(propylamino)pyrimidin-4-yl]anilino)propanenitrile
CID 80729532
2-N-tert-butyl-6-N-ethyl-6-N-(4-methylphenyl)pyridine-2,6-diamine
CID 115498310

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine (CID 112863776) is 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NC(C)(C)C)ncn1.
What is the InChIKey of 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is YBXFOOLLHOOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-20(13-9-7-6-8-10-13)15-11-14(17-12-18-15)19-16(2,3)4/h6-12H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).