4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine

C13H24N4 — CID 104830579

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NC(C)C(C)(C)C)n1
InChIInChI=1S/C13H24N4/c1-7-10-16-11(14)8(2)12(17-10)15-9(3)13(4,5)6/h9H,7H2,1-6H3,(H3,14,15,16,17)
InChIKeyCXSZXQUOTLMUKL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.78
Rot. Bonds3

About 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 104830579) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID104830579
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NC(C)C(C)(C)C)n1
InChIInChI=1S/C13H24N4/c1-7-10-16-11(14)8(2)12(17-10)15-9(3)13(4,5)6/h9H,7H2,1-6H3,(H3,14,15,16,17)
InChIKeyCXSZXQUOTLMUKL-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
2-ethyl-5-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 80987277
4-N-(1-cyclopropylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80993489
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 113458137
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163431
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 104830579) is 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NC(C)C(C)(C)C)n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is CXSZXQUOTLMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-7-10-16-11(14)8(2)12(17-10)15-9(3)13(4,5)6/h9H,7H2,1-6H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 104830579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).