(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C12H18N4O2 — CID 124755869

IUPAC(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2cc(N)ncn2)CC1=O
InChIInChI=1S/C12H18N4O2/c1-18-3-2-16-7-9(5-12(16)17)4-10-6-11(13)15-8-14-10/h6,8-9H,2-5,7H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyRIFHAAIPJFGUAG-SECBINFHSA-N
MW250.30 g/mol
LogP0.10
Rot. Bonds5

About (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124755869) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124755869
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2cc(N)ncn2)CC1=O
InChIInChI=1S/C12H18N4O2/c1-18-3-2-16-7-9(5-12(16)17)4-10-6-11(13)15-8-14-10/h6,8-9H,2-5,7H2,1H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyRIFHAAIPJFGUAG-SECBINFHSA-N
XLogP0.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125175328
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 124752474
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91841429
(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124750402
4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 131917049
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757873
(4S)-1-(2-methoxyethyl)-4-[[4-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 124750946

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124755869) is (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](Cc2cc(N)ncn2)CC1=O.
What is the InChIKey of (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is RIFHAAIPJFGUAG-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-3-2-16-7-9(5-12(16)17)4-10-6-11(13)15-8-14-10/h6,8-9H,2-5,7H2,1H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124755869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).