2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

C13H24N4O — CID 64829120

IUPAC2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ccnc(N(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-11(6-2)17(9-10-18)12-7-8-14-13(15-12)16(3)4/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyVNYBGLWVHWTCGT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.53
Rot. Bonds7

About 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (PubChem CID 64829120) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
PubChem CID64829120
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ccnc(N(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-11(6-2)17(9-10-18)12-7-8-14-13(15-12)16(3)4/h7-8,11,18H,5-6,9-10H2,1-4H3
InChIKeyVNYBGLWVHWTCGT-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (CID 64829120) is 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1ccnc(N(C)C)n1.
What is the InChIKey of 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The InChIKey is VNYBGLWVHWTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11(6-2)17(9-10-18)12-7-8-14-13(15-12)16(3)4/h7-8,11,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 64829120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).