4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine

C19H28N4 — CID 112924662

IUPAC4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)(C)C)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H28N4/c1-13-12-16(23-19(5,6)7)22-17(20-13)21-15-10-8-14(9-11-15)18(2,3)4/h8-12H,1-7H3,(H2,20,21,22,23)
InChIKeyRZZPRZBXBMJGBZ-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.04
Rot. Bonds3

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

4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112924662) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112924662
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)(C)C)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H28N4/c1-13-12-16(23-19(5,6)7)22-17(20-13)21-15-10-8-14(9-11-15)18(2,3)4/h8-12H,1-7H3,(H2,20,21,22,23)
InChIKeyRZZPRZBXBMJGBZ-UHFFFAOYSA-N
XLogP5.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-tert-butylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929265
4-N-tert-butyl-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112924707
2-N-(4-tert-butylphenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929285
4-N-tert-butyl-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112924723
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
1-[3-[[4-(tert-butylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112924692
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112924662) is 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC(C)(C)C)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RZZPRZBXBMJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-13-12-16(23-19(5,6)7)22-17(20-13)21-15-10-8-14(9-11-15)18(2,3)4/h8-12H,1-7H3,(H2,20,21,22,23).
What are the key properties of 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(4-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112924662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).