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

C7H9Cl2N3O — CID 90456586

IUPAC(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O/c1-4(13)3-10-6-2-5(8)11-7(9)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)/t4-/m1/s1
InChIKeyZVQKMUMKVHPVLC-SCSAIBSYSA-N
MW222.07 g/mol
LogP1.58
Rot. Bonds3

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

(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol (PubChem CID 90456586) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
PubChem CID90456586
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O/c1-4(13)3-10-6-2-5(8)11-7(9)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)/t4-/m1/s1
InChIKeyZVQKMUMKVHPVLC-SCSAIBSYSA-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

Analyze (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 130570519
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
1-(3,6-dibromocarbazol-9-yl)-3-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 134155682
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
2-[(2,6-dichloropyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 130569693
2-[(2,6-dichloropyrimidin-4-yl)amino]propane-1,3-diol
CID 118686089

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol (CID 90456586) is (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol is C[C@@H](O)CNc1cc(Cl)nc(Cl)n1.
What is the InChIKey of (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is ZVQKMUMKVHPVLC-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c1-4(13)3-10-6-2-5(8)11-7(9)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)/t4-/m1/s1.
What are the key properties of (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-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 (2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 90456586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).