4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol

C10H16ClN3O — CID 64912142

IUPAC4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCc1c(Cl)ncnc1NCCC(C)O
InChIInChI=1S/C10H16ClN3O/c1-3-8-9(11)13-6-14-10(8)12-5-4-7(2)15/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyJJLUMBXZFYLAIR-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.88
Rot. Bonds5

About 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol

4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 64912142) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID64912142
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCc1c(Cl)ncnc1NCCC(C)O
InChIInChI=1S/C10H16ClN3O/c1-3-8-9(11)13-6-14-10(8)12-5-4-7(2)15/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyJJLUMBXZFYLAIR-UHFFFAOYSA-N
XLogP1.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107154942
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481443
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol (CID 64912142) is 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol is CCc1c(Cl)ncnc1NCCC(C)O.
What is the InChIKey of 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is JJLUMBXZFYLAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-8-9(11)13-6-14-10(8)12-5-4-7(2)15/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol?
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 64912142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).