4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine

C16H22N4 — CID 80759282

IUPAC4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1C(C)C
InChIInChI=1S/C16H22N4/c1-4-7-13-15(17)18-10-19-16(13)20-14-9-6-5-8-12(14)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H3,17,18,19,20)
InChIKeyQVODMKCYPVOFFQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.88
Rot. Bonds5

About 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine

4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80759282) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80759282
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1C(C)C
InChIInChI=1S/C16H22N4/c1-4-7-13-15(17)18-10-19-16(13)20-14-9-6-5-8-12(14)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H3,17,18,19,20)
InChIKeyQVODMKCYPVOFFQ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809381
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine (CID 80759282) is 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccccc1C(C)C.
What is the InChIKey of 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is QVODMKCYPVOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-7-13-15(17)18-10-19-16(13)20-14-9-6-5-8-12(14)11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80759282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).