5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C11H16ClN5O — CID 114043853

IUPAC5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1nc(Cl)nc(NC2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C11H16ClN5O/c1-6-9(13)10(16-11(12)14-6)15-7-3-4-8(18)17(2)5-7/h7H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyNQLVHSGAJWWIHD-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.05
Rot. Bonds2

About 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 114043853) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID114043853
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1nc(Cl)nc(NC2CCC(=O)N(C)C2)c1N
InChIInChI=1S/C11H16ClN5O/c1-6-9(13)10(16-11(12)14-6)15-7-3-4-8(18)17(2)5-7/h7H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyNQLVHSGAJWWIHD-UHFFFAOYSA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 114043853) is 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is Cc1nc(Cl)nc(NC2CCC(=O)N(C)C2)c1N.
What is the InChIKey of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is NQLVHSGAJWWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-6-9(13)10(16-11(12)14-6)15-7-3-4-8(18)17(2)5-7/h7H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 269.74 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 114043853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).