5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one

C11H19N5O — CID 137009882

IUPAC5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2N)CC1N(C)C
InChIInChI=1S/C11H19N5O/c1-7-4-16(5-8(7)15(2)3)10-9(12)11(17)14-6-13-10/h6-8H,4-5,12H2,1-3H3,(H,13,14,17)
InChIKeyARPRXLPKENVTRO-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.26
Rot. Bonds2

About 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009882) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009882
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2N)CC1N(C)C
InChIInChI=1S/C11H19N5O/c1-7-4-16(5-8(7)15(2)3)10-9(12)11(17)14-6-13-10/h6-8H,4-5,12H2,1-3H3,(H,13,14,17)
InChIKeyARPRXLPKENVTRO-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-methylpyrazol-4-amine
CID 103078747
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
5-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-2-amine
CID 81470286
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
5-amino-4-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136978294
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716
(3S,4S)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689834

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 137009882) is 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2N)CC1N(C)C.
What is the InChIKey of 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ARPRXLPKENVTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-4-16(5-8(7)15(2)3)10-9(12)11(17)14-6-13-10/h6-8H,4-5,12H2,1-3H3,(H,13,14,17).
What are the key properties of 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).