6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 112854607

IUPAC6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C17H24N4/c1-12(2)20-15-10-16(19-11-18-15)21-14-9-7-6-8-13(14)17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21)
InChIKeyMHOGXVAJRWHJGV-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.34
Rot. Bonds4

About 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112854607) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112854607
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C17H24N4/c1-12(2)20-15-10-16(19-11-18-15)21-14-9-7-6-8-13(14)17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21)
InChIKeyMHOGXVAJRWHJGV-UHFFFAOYSA-N
XLogP4.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
4-[6-(2-tert-butylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858291
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112854607) is 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(Nc2ccccc2C(C)(C)C)ncn1.
What is the InChIKey of 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MHOGXVAJRWHJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)20-15-10-16(19-11-18-15)21-14-9-7-6-8-13(14)17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21).
What are the key properties of 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).