1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol

C10H16ClN3O — CID 63730102

IUPAC1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol
SMILESCCCc1c(Cl)ncnc1NCC(C)O
InChIInChI=1S/C10H16ClN3O/c1-3-4-8-9(11)13-6-14-10(8)12-5-7(2)15/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyLGHUQBNWESJOML-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.88
Rot. Bonds5

About 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol

1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 63730102) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID63730102
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol
SMILESCCCc1c(Cl)ncnc1NCC(C)O
InChIInChI=1S/C10H16ClN3O/c1-3-4-8-9(11)13-6-14-10(8)12-5-7(2)15/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyLGHUQBNWESJOML-UHFFFAOYSA-N
XLogP1.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol (CID 63730102) is 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol is CCCc1c(Cl)ncnc1NCC(C)O.
What is the InChIKey of 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is LGHUQBNWESJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-4-8-9(11)13-6-14-10(8)12-5-7(2)15/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol?
1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-propylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 63730102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).