4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one

C10H15ClN4O — CID 136978257

IUPAC4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)CC1N
InChIInChI=1S/C10H15ClN4O/c1-6-2-3-15(4-7(6)12)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyLIIIBENSDDHWEW-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.60
Rot. Bonds1

About 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one

4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136978257) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
PubChem CID136978257
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)CC1N
InChIInChI=1S/C10H15ClN4O/c1-6-2-3-15(4-7(6)12)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyLIIIBENSDDHWEW-UHFFFAOYSA-N
XLogP0.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one (CID 136978257) is 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2Cl)CC1N.
What is the InChIKey of 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is LIIIBENSDDHWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-2-3-15(4-7(6)12)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16).
What are the key properties of 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136978257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).