2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one

C12H20N4O — CID 136879297

IUPAC2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC[C@@H]2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-10-15-11(8-12(17)16-10)14-7-5-9-4-3-6-13-9/h8-9,13H,2-7H2,1H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyBHRWWQGRANTPOX-VIFPVBQESA-N
MW236.32 g/mol
LogP0.89
Rot. Bonds5

About 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one

2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136879297) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
PubChem CID136879297
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCC[C@@H]2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-10-15-11(8-12(17)16-10)14-7-5-9-4-3-6-13-9/h8-9,13H,2-7H2,1H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyBHRWWQGRANTPOX-VIFPVBQESA-N
XLogP0.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
2-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016321
4-[(1,1-dioxothiolan-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976507
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053
2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016687
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one (CID 136879297) is 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one is CCc1nc(NCC[C@@H]2CCCN2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is BHRWWQGRANTPOX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-10-15-11(8-12(17)16-10)14-7-5-9-4-3-6-13-9/h8-9,13H,2-7H2,1H3,(H2,14,15,16,17)/t9-/m0/s1.
What are the key properties of 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136879297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).