4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C17H24N4 — CID 112899705

IUPAC4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nccc(NC(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-12(2)13-8-6-7-9-14(13)19-16-18-11-10-15(20-16)21-17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21)
InChIKeyFPQBGFQQGWFYPV-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.55
Rot. Bonds4

About 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112899705) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112899705
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nccc(NC(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-12(2)13-8-6-7-9-14(13)19-16-18-11-10-15(20-16)21-17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21)
InChIKeyFPQBGFQQGWFYPV-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899709
4-N-(2-methoxyethyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885753
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
4-N-[3-(dimethylamino)propyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887659
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701
2-N-(2-propan-2-ylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893465
3-N-tert-butyl-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959041
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-(2,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903112
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903101
2-N-[3-(dimethylamino)propyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887815

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112899705) is 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is CC(C)c1ccccc1Nc1nccc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FPQBGFQQGWFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)13-8-6-7-9-14(13)19-16-18-11-10-15(20-16)21-17(3,4)5/h6-12H,1-5H3,(H2,18,19,20,21).
What are the key properties of 4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.55, 4 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-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).