[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol

C13H14Cl2N4O — CID 22142936

IUPAC[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol
SMILESNCCNc1ncc(CO)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O/c14-9-1-2-10(11(15)5-9)12-8(7-20)6-18-13(19-12)17-4-3-16/h1-2,5-6,20H,3-4,7,16H2,(H,17,18,19)
InChIKeyGFOOIUVKGQJENY-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.31
Rot. Bonds5

About [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol

[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol (PubChem CID 22142936) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol
PubChem CID22142936
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol
SMILESNCCNc1ncc(CO)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O/c14-9-1-2-10(11(15)5-9)12-8(7-20)6-18-13(19-12)17-4-3-16/h1-2,5-6,20H,3-4,7,16H2,(H,17,18,19)
InChIKeyGFOOIUVKGQJENY-UHFFFAOYSA-N
XLogP2.31
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol (CID 22142936) is [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol is NCCNc1ncc(CO)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol?
The InChIKey is GFOOIUVKGQJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c14-9-1-2-10(11(15)5-9)12-8(7-20)6-18-13(19-12)17-4-3-16/h1-2,5-6,20H,3-4,7,16H2,(H,17,18,19).
What are the key properties of [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol?
[2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol has a molecular weight of 313.19 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethylamino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 22142936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).