4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

C13H24N4O — CID 106149768

IUPAC4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1nc(N)c(C)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C13H24N4O/c1-5-10-16-11(14)9(2)12(17-10)15-8-13(3,4)6-7-18/h18H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyDOCXHCWWJYACFR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds6

About 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149768) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149768
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1nc(N)c(C)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C13H24N4O/c1-5-10-16-11(14)9(2)12(17-10)15-8-13(3,4)6-7-18/h18H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyDOCXHCWWJYACFR-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149725
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983064
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
5-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150303

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 106149768) is 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is CCc1nc(N)c(C)c(NCC(C)(C)CCO)n1.
What is the InChIKey of 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is DOCXHCWWJYACFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10-16-11(14)9(2)12(17-10)15-8-13(3,4)6-7-18/h18H,5-8H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).