4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine

C14H18N4 — CID 80836348

IUPAC4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)c1ccccc1Nc1cc(N)ncn1
InChIInChI=1S/C14H18N4/c1-14(2,3)10-6-4-5-7-11(10)18-13-8-12(15)16-9-17-13/h4-9H,1-3H3,(H3,15,16,17,18)
InChIKeyADLIDZIAPZGCJV-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.10
Rot. Bonds2

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

4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine (PubChem CID 80836348) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
PubChem CID80836348
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)c1ccccc1Nc1cc(N)ncn1
InChIInChI=1S/C14H18N4/c1-14(2,3)10-6-4-5-7-11(10)18-13-8-12(15)16-9-17-13/h4-9H,1-3H3,(H3,15,16,17,18)
InChIKeyADLIDZIAPZGCJV-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.10
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
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854607
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
4-[6-(2-tert-butylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858291
6-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927860
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
4-N-[2-(difluoromethylsulfanyl)phenyl]pyrimidine-4,6-diamine
CID 80759668
6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348193
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine (CID 80836348) is 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine is CC(C)(C)c1ccccc1Nc1cc(N)ncn1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ADLIDZIAPZGCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)10-6-4-5-7-11(10)18-13-8-12(15)16-9-17-13/h4-9H,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine?
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80836348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).