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

C9H14ClN3O — CID 82460980

IUPAC3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
SMILESCCc1cc(Cl)nc(NCCCO)n1
InChIInChI=1S/C9H14ClN3O/c1-2-7-6-8(10)13-9(12-7)11-4-3-5-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyJHYPANHQANUNOM-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.49
Rot. Bonds5

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

3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 82460980) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID82460980
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
SMILESCCc1cc(Cl)nc(NCCCO)n1
InChIInChI=1S/C9H14ClN3O/c1-2-7-6-8(10)13-9(12-7)11-4-3-5-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyJHYPANHQANUNOM-UHFFFAOYSA-N
XLogP1.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 82460947
2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol
CID 145410023
4-chloro-6-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-amine
CID 82460969
3-[[2-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-4-yl]amino]propan-1-ol;3-[[4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-yl]amino]propan-1-ol
CID 161479443
4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
CID 82460935
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
6-chloro-2-N-propylpyrimidine-2,4-diamine
CID 19073886
(4-chloro-6-ethylpyrimidin-2-yl)methanamine
CID 55262955
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
4-chloro-2,6-diethylpyrimidine
CID 43557605
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol (CID 82460980) is 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol is CCc1cc(Cl)nc(NCCCO)n1.
What is the InChIKey of 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is JHYPANHQANUNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-7-6-8(10)13-9(12-7)11-4-3-5-14/h6,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol?
3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 82460980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).