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

C16H30N4O — CID 107159606

IUPAC1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCNc1nc(CC)nc(NCC(O)CC(C)(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-13-19-14(17-8-2)11(3)15(20-13)18-10-12(21)9-16(4,5)6/h12,21H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyWKXQUXICPBUVGJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.99
Rot. Bonds7

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

1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159606) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107159606
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCNc1nc(CC)nc(NCC(O)CC(C)(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-7-13-19-14(17-8-2)11(3)15(20-13)18-10-12(21)9-16(4,5)6/h12,21H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyWKXQUXICPBUVGJ-UHFFFAOYSA-N
XLogP2.99
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159831
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159660
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
CID 80991789
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
3-ethyl-1-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106288887
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982855
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol (CID 107159606) is 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is CCNc1nc(CC)nc(NCC(O)CC(C)(C)C)c1C.
What is the InChIKey of 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is WKXQUXICPBUVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-13-19-14(17-8-2)11(3)15(20-13)18-10-12(21)9-16(4,5)6/h12,21H,7-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol?
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).