(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one

C20H22ClN5O2 — CID 97002639

IUPAC(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESCc1oc2nc(CN(C)[C@@H]3CCN(c4ccccc4Cl)C3=O)nc(N)c2c1C
InChIInChI=1S/C20H22ClN5O2/c1-11-12(2)28-19-17(11)18(22)23-16(24-19)10-25(3)15-8-9-26(20(15)27)14-7-5-4-6-13(14)21/h4-7,15H,8-10H2,1-3H3,(H2,22,23,24)/t15-/m1/s1
InChIKeyRPLPRYZCZNIPRN-OAHLLOKOSA-N
MW399.88 g/mol
LogP3.31
Rot. Bonds4

About (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one

(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 97002639) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID97002639
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESCc1oc2nc(CN(C)[C@@H]3CCN(c4ccccc4Cl)C3=O)nc(N)c2c1C
InChIInChI=1S/C20H22ClN5O2/c1-11-12(2)28-19-17(11)18(22)23-16(24-19)10-25(3)15-8-9-26(20(15)27)14-7-5-4-6-13(14)21/h4-7,15H,8-10H2,1-3H3,(H2,22,23,24)/t15-/m1/s1
InChIKeyRPLPRYZCZNIPRN-OAHLLOKOSA-N
XLogP3.31
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one (CID 97002639) is (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one is Cc1oc2nc(CN(C)[C@@H]3CCN(c4ccccc4Cl)C3=O)nc(N)c2c1C.
What is the InChIKey of (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is RPLPRYZCZNIPRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-11-12(2)28-19-17(11)18(22)23-16(24-19)10-25(3)15-8-9-26(20(15)27)14-7-5-4-6-13(14)21/h4-7,15H,8-10H2,1-3H3,(H2,22,23,24)/t15-/m1/s1.
What are the key properties of (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one?
(3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 399.88 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl-methylamino]-1-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 97002639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).