1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol

C11H16ClN3O2 — CID 164545997

IUPAC1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol
SMILESCCC(O)c1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C11H16ClN3O2/c1-2-8(16)9-10(12)13-7-14-11(9)15-3-5-17-6-4-15/h7-8,16H,2-6H2,1H3
InChIKeyNTNNWBPFHCGNTM-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol

1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol (PubChem CID 164545997) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol
PubChem CID164545997
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol
SMILESCCC(O)c1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C11H16ClN3O2/c1-2-8(16)9-10(12)13-7-14-11(9)15-3-5-17-6-4-15/h7-8,16H,2-6H2,1H3
InChIKeyNTNNWBPFHCGNTM-UHFFFAOYSA-N
XLogP1.41
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-Chloro-5-propylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482170
2-[(6-Chloro-5-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 113964669
(4-Chloro-6-morpholin-4-ylpyrimidin-5-yl)methanol
CID 81684250
1-(4,6-Dichloropyrimidin-5-yl)propan-1-ol
CID 86632016
1-(4-Chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol
CID 164545551
(1R)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol
CID 167141795
(1S)-1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)ethanol
CID 167141796
(2S)-1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol
CID 168155812
Tert-butyl 4-[(4,6-dichloropyrimidin-5-yl)-hydroxymethyl]piperidine-1-carboxylate
CID 170931453
1-(2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)propan-2-ol
CID 175399807
4-(6-Chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
CID 55228745
4-Chloro-5-ethyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 55229119

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol?
The IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol (CID 164545997) is 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol is CCC(O)c1c(Cl)ncnc1N1CCOCC1.
What is the InChIKey of 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol?
The InChIKey is NTNNWBPFHCGNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-8(16)9-10(12)13-7-14-11(9)15-3-5-17-6-4-15/h7-8,16H,2-6H2,1H3.
What are the key properties of 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol?
1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol has a molecular weight of 257.72 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-morpholin-4-ylpyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 164545997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).