4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine

C15H28N4O — CID 82456109

IUPAC4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NC(C)(C)C)c(N)c(OCC(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-8-11-17-13(19-15(4,5)6)12(16)14(18-11)20-9-10(2)3/h10H,7-9,16H2,1-6H3,(H,17,18,19)
InChIKeyNDGXEBHVCDGJGB-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.26
Rot. Bonds6

About 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine

4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine (PubChem CID 82456109) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
PubChem CID82456109
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NC(C)(C)C)c(N)c(OCC(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-8-11-17-13(19-15(4,5)6)12(16)14(18-11)20-9-10(2)3/h10H,7-9,16H2,1-6H3,(H,17,18,19)
InChIKeyNDGXEBHVCDGJGB-UHFFFAOYSA-N
XLogP3.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456041
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine (CID 82456109) is 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine is CCCc1nc(NC(C)(C)C)c(N)c(OCC(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine?
The InChIKey is NDGXEBHVCDGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-8-11-17-13(19-15(4,5)6)12(16)14(18-11)20-9-10(2)3/h10H,7-9,16H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine?
4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).