2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one

C10H15ClN4O — CID 141111982

IUPAC2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESC[C@@]1(N)CCCN(c2ncc(Cl)c(=O)[nH]2)C1
InChIInChI=1S/C10H15ClN4O/c1-10(12)3-2-4-15(6-10)9-13-5-7(11)8(16)14-9/h5H,2-4,6,12H2,1H3,(H,13,14,16)/t10-/m1/s1
InChIKeyQYORVRBINBMPKK-SNVBAGLBSA-N
MW242.71 g/mol
LogP0.74
Rot. Bonds1

About 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one

2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 141111982) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID141111982
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESC[C@@]1(N)CCCN(c2ncc(Cl)c(=O)[nH]2)C1
InChIInChI=1S/C10H15ClN4O/c1-10(12)3-2-4-15(6-10)9-13-5-7(11)8(16)14-9/h5H,2-4,6,12H2,1H3,(H,13,14,16)/t10-/m1/s1
InChIKeyQYORVRBINBMPKK-SNVBAGLBSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 141111982) is 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is C[C@@]1(N)CCCN(c2ncc(Cl)c(=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is QYORVRBINBMPKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-10(12)3-2-4-15(6-10)9-13-5-7(11)8(16)14-9/h5H,2-4,6,12H2,1H3,(H,13,14,16)/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 141111982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).