1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol

C16H30N4O — CID 80960165

IUPAC1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCNc1cc(NCC(C)(O)CC(C)C)nc(C(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-17-13-8-14(20-15(19-13)12(4)5)18-10-16(6,21)9-11(2)3/h8,11-12,21H,7,9-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyASMTYUBEKWOGRQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.24
Rot. Bonds8

About 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol

1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 80960165) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
PubChem CID80960165
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCNc1cc(NCC(C)(O)CC(C)C)nc(C(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-17-13-8-14(20-15(19-13)12(4)5)18-10-16(6,21)9-11(2)3/h8,11-12,21H,7,9-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyASMTYUBEKWOGRQ-UHFFFAOYSA-N
XLogP3.24
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80850995
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
2-chloro-6-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridine-4-carbonitrile
CID 83076843

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (CID 80960165) is 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol is CCNc1cc(NCC(C)(O)CC(C)C)nc(C(C)C)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is ASMTYUBEKWOGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-17-13-8-14(20-15(19-13)12(4)5)18-10-16(6,21)9-11(2)3/h8,11-12,21H,7,9-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80960165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).