5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C11H19N5O — CID 136876798

IUPAC5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCC1(C)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H19N5O/c1-11(5-13-2)3-4-16(6-11)9-8(12)10(17)15-7-14-9/h7,13H,3-6,12H2,1-2H3,(H,14,15,17)
InChIKeyNKXWWGUPILZCSA-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.21
Rot. Bonds3

About 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136876798) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136876798
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCC1(C)CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H19N5O/c1-11(5-13-2)3-4-16(6-11)9-8(12)10(17)15-7-14-9/h7,13H,3-6,12H2,1-2H3,(H,14,15,17)
InChIKeyNKXWWGUPILZCSA-UHFFFAOYSA-N
XLogP-0.21
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136876798) is 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is CNCC1(C)CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is NKXWWGUPILZCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(5-13-2)3-4-16(6-11)9-8(12)10(17)15-7-14-9/h7,13H,3-6,12H2,1-2H3,(H,14,15,17).
What are the key properties of 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136876798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).