4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C16H30N4O — CID 82458799

IUPAC4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1nc(C(C)(C)C)nc(OCC(C)C)c1N
InChIInChI=1S/C16H30N4O/c1-8-11(4)18-13-12(17)14(21-9-10(2)3)20-15(19-13)16(5,6)7/h10-11H,8-9,17H2,1-7H3,(H,18,19,20)
InChIKeyUFOFPIPWHAIXRF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.60
Rot. Bonds6

About 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82458799) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82458799
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1nc(C(C)(C)C)nc(OCC(C)C)c1N
InChIInChI=1S/C16H30N4O/c1-8-11(4)18-13-12(17)14(21-9-10(2)3)20-15(19-13)16(5,6)7/h10-11H,8-9,17H2,1-7H3,(H,18,19,20)
InChIKeyUFOFPIPWHAIXRF-UHFFFAOYSA-N
XLogP3.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455564
4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
CID 82456109
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82458783
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
2-tert-butyl-4-N-heptan-2-yl-5-methylpyrimidine-4,6-diamine
CID 80986702
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82458799) is 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CCC(C)Nc1nc(C(C)(C)C)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is UFOFPIPWHAIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-11(4)18-13-12(17)14(21-9-10(2)3)20-15(19-13)16(5,6)7/h10-11H,8-9,17H2,1-7H3,(H,18,19,20).
What are the key properties of 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-tert-butyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).