1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol

C12H22N4O — CID 113498180

IUPAC1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
SMILESCCNc1ncc(C)c(NCCC(O)CC)n1
InChIInChI=1S/C12H22N4O/c1-4-10(17)6-7-14-11-9(3)8-15-12(16-11)13-5-2/h8,10,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyZVIMLBWETCENCQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds7

About 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol

1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol (PubChem CID 113498180) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
PubChem CID113498180
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
SMILESCCNc1ncc(C)c(NCCC(O)CC)n1
InChIInChI=1S/C12H22N4O/c1-4-10(17)6-7-14-11-9(3)8-15-12(16-11)13-5-2/h8,10,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyZVIMLBWETCENCQ-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol (CID 113498180) is 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol is CCNc1ncc(C)c(NCCC(O)CC)n1.
What is the InChIKey of 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol?
The InChIKey is ZVIMLBWETCENCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10(17)6-7-14-11-9(3)8-15-12(16-11)13-5-2/h8,10,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol?
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol has a molecular weight of 238.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol is sourced from PubChem (CID 113498180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).