5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol

C16H30N4O — CID 106149949

IUPAC5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCCNc1ncnc(NCC(C)(C)CCCO)c1CC
InChIInChI=1S/C16H30N4O/c1-5-9-17-14-13(6-2)15(20-12-19-14)18-11-16(3,4)8-7-10-21/h12,21H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyMHXZCWOFKCHGDN-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.07
Rot. Bonds10

About 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol

5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106149949) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106149949
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCCNc1ncnc(NCC(C)(C)CCCO)c1CC
InChIInChI=1S/C16H30N4O/c1-5-9-17-14-13(6-2)15(20-12-19-14)18-11-16(3,4)8-7-10-21/h12,21H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyMHXZCWOFKCHGDN-UHFFFAOYSA-N
XLogP3.07
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103896010
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141264
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169936
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383

Frequently Asked Questions

What is the IUPAC name of 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (CID 106149949) is 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is CCCNc1ncnc(NCC(C)(C)CCCO)c1CC.
What is the InChIKey of 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is MHXZCWOFKCHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-9-17-14-13(6-2)15(20-12-19-14)18-11-16(3,4)8-7-10-21/h12,21H,5-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).