2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

C12H20ClN3O — CID 55229883

IUPAC2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ncnc(Cl)c1C
InChIInChI=1S/C12H20ClN3O/c1-4-10(5-2)16(6-7-17)12-9(3)11(13)14-8-15-12/h8,10,17H,4-7H2,1-3H3
InChIKeyUZMINCWZKDRSBU-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.43
Rot. Bonds6

About 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 55229883) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID55229883
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ncnc(Cl)c1C
InChIInChI=1S/C12H20ClN3O/c1-4-10(5-2)16(6-7-17)12-9(3)11(13)14-8-15-12/h8,10,17H,4-7H2,1-3H3
InChIKeyUZMINCWZKDRSBU-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 55229883) is 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1ncnc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is UZMINCWZKDRSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-10(5-2)16(6-7-17)12-9(3)11(13)14-8-15-12/h8,10,17H,4-7H2,1-3H3.
What are the key properties of 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 55229883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).