2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

C15H20N4 — CID 80933746

IUPAC2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N4/c1-4-14-18-13(16)9-15(19-14)17-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyCHEZNPWMIYCTDB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds4

About 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 80933746) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID80933746
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N4/c1-4-14-18-13(16)9-15(19-14)17-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyCHEZNPWMIYCTDB-UHFFFAOYSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-difluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80933085
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
2-ethyl-4-N-(1-methylpyrazol-4-yl)pyrimidine-4,6-diamine
CID 80941799
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933742
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
4-N-(4-chlorophenyl)-2-ethylsulfanylpyrimidine-4,6-diamine
CID 53214497
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
CID 80935033

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 80933746) is 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCc1nc(N)cc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CHEZNPWMIYCTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-14-18-13(16)9-15(19-14)17-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine?
2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).