4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine

C9H17N5 — CID 80768145

IUPAC4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCC(C)(C)Nc1cc(N)nc(N)n1
InChIInChI=1S/C9H17N5/c1-4-9(2,3)14-7-5-6(10)12-8(11)13-7/h5H,4H2,1-3H3,(H5,10,11,12,13,14)
InChIKeyLSMLZBIKRZUOEP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.24
Rot. Bonds3

About 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine

4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine (PubChem CID 80768145) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
PubChem CID80768145
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCC(C)(C)Nc1cc(N)nc(N)n1
InChIInChI=1S/C9H17N5/c1-4-9(2,3)14-7-5-6(10)12-8(11)13-7/h5H,4H2,1-3H3,(H5,10,11,12,13,14)
InChIKeyLSMLZBIKRZUOEP-UHFFFAOYSA-N
XLogP1.24
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455
6-hydrazinyl-2-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80921159
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80778887
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80850995
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169
4-N-(4-aminobutyl)pyrimidine-2,4,6-triamine
CID 54487404
4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80915909
4-N-(3-methylsulfonylpropyl)pyrimidine-2,4,6-triamine
CID 80812862
6-methoxy-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 43261292

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine (CID 80768145) is 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine is CCC(C)(C)Nc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The InChIKey is LSMLZBIKRZUOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-9(2,3)14-7-5-6(10)12-8(11)13-7/h5H,4H2,1-3H3,(H5,10,11,12,13,14).
What are the key properties of 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine has a molecular weight of 195.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80768145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).