2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one

C19H20N4O — CID 124741038

IUPAC2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CC[C@@H](Nc2cc(=O)n3ccccc3n2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20N4O/c1-22-12-10-15(19(22)14-7-3-2-4-8-14)20-16-13-18(24)23-11-6-5-9-17(23)21-16/h2-9,11,13,15,19-20H,10,12H2,1H3/t15-,19-/m1/s1
InChIKeyVRMIPJLFNDGVJA-DNVCBOLYSA-N
MW320.40 g/mol
LogP2.55
Rot. Bonds3

About 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one

2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 124741038) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID124741038
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CC[C@@H](Nc2cc(=O)n3ccccc3n2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20N4O/c1-22-12-10-15(19(22)14-7-3-2-4-8-14)20-16-13-18(24)23-11-6-5-9-17(23)21-16/h2-9,11,13,15,19-20H,10,12H2,1H3/t15-,19-/m1/s1
InChIKeyVRMIPJLFNDGVJA-DNVCBOLYSA-N
XLogP2.55
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one (CID 124741038) is 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one is CN1CC[C@@H](Nc2cc(=O)n3ccccc3n2)[C@H]1c1ccccc1.
What is the InChIKey of 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VRMIPJLFNDGVJA-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-12-10-15(19(22)14-7-3-2-4-8-14)20-16-13-18(24)23-11-6-5-9-17(23)21-16/h2-9,11,13,15,19-20H,10,12H2,1H3/t15-,19-/m1/s1.
What are the key properties of 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 320.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 124741038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).