2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol

C13H24N4O — CID 80983064

IUPAC2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCc1nc(N)c(C)c(NC(CC)(CC)CO)n1
InChIInChI=1S/C13H24N4O/c1-5-10-15-11(14)9(4)12(16-10)17-13(6-2,7-3)8-18/h18H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyIOJLWQDMBDWHSW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.89
Rot. Bonds6

About 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol (PubChem CID 80983064) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
PubChem CID80983064
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCc1nc(N)c(C)c(NC(CC)(CC)CO)n1
InChIInChI=1S/C13H24N4O/c1-5-10-15-11(14)9(4)12(16-10)17-13(6-2,7-3)8-18/h18H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyIOJLWQDMBDWHSW-UHFFFAOYSA-N
XLogP1.89
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983002
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854317
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699
6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
CID 80991789
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163431

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol (CID 80983064) is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol is CCc1nc(N)c(C)c(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is IOJLWQDMBDWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10-15-11(14)9(4)12(16-10)17-13(6-2,7-3)8-18/h18H,5-8H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 80983064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).