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

C7H9Cl2N3O — CID 90302031

IUPAC2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O/c1-4(3-13)10-6-2-5(8)11-7(9)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)
InChIKeyCISBGUWMXXOYSV-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.58
Rot. Bonds3

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

2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol (PubChem CID 90302031) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
PubChem CID90302031
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O/c1-4(3-13)10-6-2-5(8)11-7(9)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)
InChIKeyCISBGUWMXXOYSV-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichloropyrimidin-4-yl)amino]propane-1,3-diol
CID 118686089
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780227
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
CID 114073216
(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80936381
2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 130252006
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063
6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
CID 103705061
2,6-dichloro-N-methylpyrimidin-4-amine;4,6-dichloro-N-methylpyrimidin-2-amine
CID 158773351

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol (CID 90302031) is 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol is CC(CO)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is CISBGUWMXXOYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c1-4(3-13)10-6-2-5(8)11-7(9)12-6/h2,4,13H,3H2,1H3,(H,10,11,12).
What are the key properties of 2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol?
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 222.07 g/mol, XLogP of 1.58, 3 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]propan-1-ol is sourced from PubChem (CID 90302031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).