4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate

C7H14N4O2 — CID 22155153

IUPAC4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate
SMILESCN(C)Cn1ccc(N)nc1=O.O
InChIInChI=1S/C7H12N4O.H2O/c1-10(2)5-11-4-3-6(8)9-7(11)12;/h3-4H,5H2,1-2H3,(H2,8,9,12);1H2
InChIKeyRTWMHJLSDNXEKD-UHFFFAOYSA-N
MW186.22 g/mol
LogP-1.48
Rot. Bonds2

About 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate

4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate (PubChem CID 22155153) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate.

Molecular Properties

Compound Name4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate
PubChem CID22155153
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate
SMILESCN(C)Cn1ccc(N)nc1=O.O
InChIInChI=1S/C7H12N4O.H2O/c1-10(2)5-11-4-3-6(8)9-7(11)12;/h3-4H,5H2,1-2H3,(H2,8,9,12);1H2
InChIKeyRTWMHJLSDNXEKD-UHFFFAOYSA-N
XLogP-1.48
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate?
The IUPAC name of 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate (CID 22155153) is 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate.
What is the SMILES notation for 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate?
The canonical SMILES for 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate is CN(C)Cn1ccc(N)nc1=O.O.
What is the InChIKey of 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate?
The InChIKey is RTWMHJLSDNXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.H2O/c1-10(2)5-11-4-3-6(8)9-7(11)12;/h3-4H,5H2,1-2H3,(H2,8,9,12);1H2.
What are the key properties of 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate?
4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate has a molecular weight of 186.22 g/mol, XLogP of -1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(dimethylamino)methyl]pyrimidin-2-one;hydrate is sourced from PubChem (CID 22155153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).