3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol

C10H9ClN4O — CID 69399875

IUPAC3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol
SMILESNc1ccnc(Nc2cccc(O)c2Cl)n1
InChIInChI=1S/C10H9ClN4O/c11-9-6(2-1-3-7(9)16)14-10-13-5-4-8(12)15-10/h1-5,16H,(H3,12,13,14,15)
InChIKeyKAGHUAKSPGHDDS-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.16
Rot. Bonds2

About 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol

3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol (PubChem CID 69399875) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol.

Molecular Properties

Compound Name3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol
PubChem CID69399875
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol
SMILESNc1ccnc(Nc2cccc(O)c2Cl)n1
InChIInChI=1S/C10H9ClN4O/c11-9-6(2-1-3-7(9)16)14-10-13-5-4-8(12)15-10/h1-5,16H,(H3,12,13,14,15)
InChIKeyKAGHUAKSPGHDDS-UHFFFAOYSA-N
XLogP2.16
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol?
The IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol (CID 69399875) is 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol.
What is the SMILES notation for 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol?
The canonical SMILES for 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol is Nc1ccnc(Nc2cccc(O)c2Cl)n1.
What is the InChIKey of 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol?
The InChIKey is KAGHUAKSPGHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-6(2-1-3-7(9)16)14-10-13-5-4-8(12)15-10/h1-5,16H,(H3,12,13,14,15).
What are the key properties of 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol?
3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol has a molecular weight of 236.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol is sourced from PubChem (CID 69399875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).