1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol

C10H15ClN4O — CID 102955463

IUPAC1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ncnc(Cl)c2N)CC1O
InChIInChI=1S/C10H15ClN4O/c1-6-2-3-15(4-7(6)16)10-8(12)9(11)13-5-14-10/h5-7,16H,2-4,12H2,1H3
InChIKeyHAYJZWSNJPMVQN-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.92
Rot. Bonds1

About 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol

1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 102955463) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID102955463
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ncnc(Cl)c2N)CC1O
InChIInChI=1S/C10H15ClN4O/c1-6-2-3-15(4-7(6)16)10-8(12)9(11)13-5-14-10/h5-7,16H,2-4,12H2,1H3
InChIKeyHAYJZWSNJPMVQN-UHFFFAOYSA-N
XLogP0.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 102955463) is 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol is CC1CCN(c2ncnc(Cl)c2N)CC1O.
What is the InChIKey of 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is HAYJZWSNJPMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-2-3-15(4-7(6)16)10-8(12)9(11)13-5-14-10/h5-7,16H,2-4,12H2,1H3.
What are the key properties of 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 242.71 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).