5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C11H19N5O — CID 135575726

IUPAC5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H19N5O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6,12H2,1-2H3,(H,13,14,17)
InChIKeyUGGULESCGCXOLC-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.12
Rot. Bonds2

About 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135575726) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID135575726
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(N(C)c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H19N5O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6,12H2,1-2H3,(H,13,14,17)
InChIKeyUGGULESCGCXOLC-UHFFFAOYSA-N
XLogP-0.12
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 135575726) is 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CN1CCC(N(C)c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is UGGULESCGCXOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-5-3-8(4-6-15)16(2)10-9(12)11(17)14-7-13-10/h7-8H,3-6,12H2,1-2H3,(H,13,14,17).
What are the key properties of 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135575726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).