(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one

C13H18N4O2 — CID 175900181

IUPAC(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
SMILESCOc1ncnc2c1CN(C[C@@H]1CCC(=O)N1)CC2
InChIInChI=1S/C13H18N4O2/c1-19-13-10-7-17(5-4-11(10)14-8-15-13)6-9-2-3-12(18)16-9/h8-9H,2-7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyKVHITUYMZHVLPT-VIFPVBQESA-N
MW262.31 g/mol
LogP0.12
Rot. Bonds3

About (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one

(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one (PubChem CID 175900181) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
PubChem CID175900181
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
SMILESCOc1ncnc2c1CN(C[C@@H]1CCC(=O)N1)CC2
InChIInChI=1S/C13H18N4O2/c1-19-13-10-7-17(5-4-11(10)14-8-15-13)6-9-2-3-12(18)16-9/h8-9H,2-7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyKVHITUYMZHVLPT-VIFPVBQESA-N
XLogP0.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one (CID 175900181) is (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one is COc1ncnc2c1CN(C[C@@H]1CCC(=O)N1)CC2.
What is the InChIKey of (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one?
The InChIKey is KVHITUYMZHVLPT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-13-10-7-17(5-4-11(10)14-8-15-13)6-9-2-3-12(18)16-9/h8-9H,2-7H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one?
(5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 175900181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).