2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol

C10H15Cl2N3O — CID 130252006

IUPAC2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H15Cl2N3O/c1-3-10(4-2,6-16)15-8-5-7(11)13-9(12)14-8/h5,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyXIQVSYSTYRRDOY-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol

2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol (PubChem CID 130252006) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
PubChem CID130252006
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H15Cl2N3O/c1-3-10(4-2,6-16)15-8-5-7(11)13-9(12)14-8/h5,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyXIQVSYSTYRRDOY-UHFFFAOYSA-N
XLogP2.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol (CID 130252006) is 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is XIQVSYSTYRRDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O/c1-3-10(4-2,6-16)15-8-5-7(11)13-9(12)14-8/h5,16H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 264.16 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 130252006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).