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

C10H14ClN5O — CID 64655109

IUPAC5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncnc(Cl)c2N)CCC1=O
InChIInChI=1S/C10H14ClN5O/c1-16-4-6(2-3-7(16)17)15-10-8(12)9(11)13-5-14-10/h5-6H,2-4,12H2,1H3,(H,13,14,15)
InChIKeySNYCDTLJGAFTIP-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.74
Rot. Bonds2

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

5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64655109) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID64655109
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncnc(Cl)c2N)CCC1=O
InChIInChI=1S/C10H14ClN5O/c1-16-4-6(2-3-7(16)17)15-10-8(12)9(11)13-5-14-10/h5-6H,2-4,12H2,1H3,(H,13,14,15)
InChIKeySNYCDTLJGAFTIP-UHFFFAOYSA-N
XLogP0.74
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 64655109) is 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncnc(Cl)c2N)CCC1=O.
What is the InChIKey of 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is SNYCDTLJGAFTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-16-4-6(2-3-7(16)17)15-10-8(12)9(11)13-5-14-10/h5-6H,2-4,12H2,1H3,(H,13,14,15).
What are the key properties of 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 255.71 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64655109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).