1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol

C15H26N4O — CID 114954073

IUPAC1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCNc1ncnc(N(C)CC2(O)CCCC2)c1CC
InChIInChI=1S/C15H26N4O/c1-4-12-13(16-5-2)17-11-18-14(12)19(3)10-15(20)8-6-7-9-15/h11,20H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyIZWVGLTUHWLYRH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds6

About 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol

1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114954073) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114954073
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
SMILESCCNc1ncnc(N(C)CC2(O)CCCC2)c1CC
InChIInChI=1S/C15H26N4O/c1-4-12-13(16-5-2)17-11-18-14(12)19(3)10-15(20)8-6-7-9-15/h11,20H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyIZWVGLTUHWLYRH-UHFFFAOYSA-N
XLogP2.21
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-{2-[{[2-(Ethylamino)pyrimidin-5-yl]methyl}(methyl)amino]ethyl}cyclopentanol
CID 77083595
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842335
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842427
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114953964
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954054
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954083
1-[[(2-Amino-5-fluoropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954084
1-[[(5-Tert-butylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 169018421
1-[(Pyrimidin-5-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932875
1-[[[2-(Dimethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 64983021
3-[[(6-Chloro-5-propylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 65108548

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol (CID 114954073) is 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is CCNc1ncnc(N(C)CC2(O)CCCC2)c1CC.
What is the InChIKey of 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is IZWVGLTUHWLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12-13(16-5-2)17-11-18-14(12)19(3)10-15(20)8-6-7-9-15/h11,20H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114954073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).