(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol

C7H11ClN4O — CID 130619296

IUPAC(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc(N)c1Cl
InChIInChI=1S/C7H11ClN4O/c1-4(13)2-10-7-5(8)6(9)11-3-12-7/h3-4,13H,2H2,1H3,(H3,9,10,11,12)/t4-/m1/s1
InChIKeyRZHSGHKXGHWIPK-SCSAIBSYSA-N
MW202.65 g/mol
LogP0.50
Rot. Bonds3

About (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol

(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol (PubChem CID 130619296) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
PubChem CID130619296
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc(N)c1Cl
InChIInChI=1S/C7H11ClN4O/c1-4(13)2-10-7-5(8)6(9)11-3-12-7/h3-4,13H,2H2,1H3,(H3,9,10,11,12)/t4-/m1/s1
InChIKeyRZHSGHKXGHWIPK-SCSAIBSYSA-N
XLogP0.50
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol (CID 130619296) is (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol is C[C@@H](O)CNc1ncnc(N)c1Cl.
What is the InChIKey of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is RZHSGHKXGHWIPK-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-4(13)2-10-7-5(8)6(9)11-3-12-7/h3-4,13H,2H2,1H3,(H3,9,10,11,12)/t4-/m1/s1.
What are the key properties of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 202.65 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 130619296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).