4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine

C24H31N5 — CID 101085708

IUPAC4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
SMILESCC(C)(C)c1ccc(Nc2cc(Nc3ccc(C(C)(C)C)cc3)nc(N)n2)cc1
InChIInChI=1S/C24H31N5/c1-23(2,3)16-7-11-18(12-8-16)26-20-15-21(29-22(25)28-20)27-19-13-9-17(10-14-19)24(4,5)6/h7-15H,1-6H3,(H4,25,26,27,28,29)
InChIKeyDDYMGBIUWCGPRY-UHFFFAOYSA-N
MW389.55 g/mol
LogP6.14
Rot. Bonds4

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

4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 101085708) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
PubChem CID101085708
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
SMILESCC(C)(C)c1ccc(Nc2cc(Nc3ccc(C(C)(C)C)cc3)nc(N)n2)cc1
InChIInChI=1S/C24H31N5/c1-23(2,3)16-7-11-18(12-8-16)26-20-15-21(29-22(25)28-20)27-19-13-9-17(10-14-19)24(4,5)6/h7-15H,1-6H3,(H4,25,26,27,28,29)
InChIKeyDDYMGBIUWCGPRY-UHFFFAOYSA-N
XLogP6.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.55
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80759731
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-N-(4-tert-butylphenyl)-6-[[2-(trifluoromethyl)phenyl]methoxy]pyrimidine-2,4-diamine
CID 11212205
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768233
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
3-[[6-(4-tert-butylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877795
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
5-tert-butyl-3-methyl-1,2-oxazole;4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
CID 143053384

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine (CID 101085708) is 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine is CC(C)(C)c1ccc(Nc2cc(Nc3ccc(C(C)(C)C)cc3)nc(N)n2)cc1.
What is the InChIKey of 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is DDYMGBIUWCGPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-23(2,3)16-7-11-18(12-8-16)26-20-15-21(29-22(25)28-20)27-19-13-9-17(10-14-19)24(4,5)6/h7-15H,1-6H3,(H4,25,26,27,28,29).
What are the key properties of 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine?
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 389.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 101085708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).