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

C14H24ClN3O — CID 55229696

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCCc1c(Cl)ncnc1N(CCO)C(CC)CC
InChIInChI=1S/C14H24ClN3O/c1-4-7-12-13(15)16-10-17-14(12)18(8-9-19)11(5-2)6-3/h10-11,19H,4-9H2,1-3H3
InChIKeyQDTXVOHIHKDQBB-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.07
Rot. Bonds8

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

2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 55229696) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID55229696
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCCc1c(Cl)ncnc1N(CCO)C(CC)CC
InChIInChI=1S/C14H24ClN3O/c1-4-7-12-13(15)16-10-17-14(12)18(8-9-19)11(5-2)6-3/h10-11,19H,4-9H2,1-3H3
InChIKeyQDTXVOHIHKDQBB-UHFFFAOYSA-N
XLogP3.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
CID 79491060
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 63271902
2-[(6-chloro-5-propylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 63735069
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 55229696) is 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCCc1c(Cl)ncnc1N(CCO)C(CC)CC.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is QDTXVOHIHKDQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-7-12-13(15)16-10-17-14(12)18(8-9-19)11(5-2)6-3/h10-11,19H,4-9H2,1-3H3.
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 285.82 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 55229696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).