3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

C12H20ClN3O — CID 63729486

IUPAC3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCCc1c(Cl)ncnc1N(CCCO)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-4-10-11(13)14-8-15-12(10)16(9(2)3)6-5-7-17/h8-9,17H,4-7H2,1-3H3
InChIKeyZZZXXPITKVJFJB-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.29
Rot. Bonds6

About 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 63729486) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
PubChem CID63729486
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCCc1c(Cl)ncnc1N(CCCO)C(C)C
InChIInChI=1S/C12H20ClN3O/c1-4-10-11(13)14-8-15-12(10)16(9(2)3)6-5-7-17/h8-9,17H,4-7H2,1-3H3
InChIKeyZZZXXPITKVJFJB-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
CID 63728063
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 114045771
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80788107
3-[(6-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811427
5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80810727
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728486
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (CID 63729486) is 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is CCc1c(Cl)ncnc1N(CCCO)C(C)C.
What is the InChIKey of 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is ZZZXXPITKVJFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-10-11(13)14-8-15-12(10)16(9(2)3)6-5-7-17/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 63729486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).