5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

C11H19N5O — CID 136974107

IUPAC5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCN1CCC(CNc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H19N5O/c1-2-16-4-3-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6,12H2,1H3,(H2,13,14,15,17)
InChIKeyHOBSFPCQKJDSDL-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.11
Rot. Bonds4

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

5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974107) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974107
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCN1CCC(CNc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H19N5O/c1-2-16-4-3-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6,12H2,1H3,(H2,13,14,15,17)
InChIKeyHOBSFPCQKJDSDL-UHFFFAOYSA-N
XLogP0.11
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136951449
5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112
4-amino-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136393187
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 169130895
5-Amino-1-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 115114260
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136974107) is 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is CCN1CCC(CNc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is HOBSFPCQKJDSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-16-4-3-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6,12H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-ethylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).