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

C17H24N4 — CID 112882053

IUPAC2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-12(2)19-15-10-11-18-16(21-15)20-14-9-7-6-8-13(14)17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21)
InChIKeyMCQQJKITYNAFQU-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.34
Rot. Bonds4

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

2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112882053) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112882053
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-12(2)19-15-10-11-18-16(21-15)20-14-9-7-6-8-13(14)17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21)
InChIKeyMCQQJKITYNAFQU-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-butyl-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 112882902
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
6-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854607
methyl 4-[[2-(2-tert-butylanilino)pyrimidin-4-yl]amino]benzoate
CID 112903365
2-N-(2-tert-butylphenyl)-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 112903369
2-N-(2-tert-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903352
4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899705
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-(5-chloro-2-methylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882056
N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887993
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112882053) is 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1ccnc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is MCQQJKITYNAFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)19-15-10-11-18-16(21-15)20-14-9-7-6-8-13(14)17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-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 2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).