3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol

C13H24N4O — CID 115366433

IUPAC3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCNc1cc(NCC(C)(C)CO)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-10-16-11(14-6-2)7-12(17-10)15-8-13(3,4)9-18/h7,18H,5-6,8-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyCVHVSLJTWCWFML-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.90
Rot. Bonds7

About 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366433) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115366433
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCNc1cc(NCC(C)(C)CO)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-10-16-11(14-6-2)7-12(17-10)15-8-13(3,4)9-18/h7,18H,5-6,8-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyCVHVSLJTWCWFML-UHFFFAOYSA-N
XLogP1.90
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257910
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (CID 115366433) is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is CCNc1cc(NCC(C)(C)CO)nc(CC)n1.
What is the InChIKey of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is CVHVSLJTWCWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10-16-11(14-6-2)7-12(17-10)15-8-13(3,4)9-18/h7,18H,5-6,8-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).