(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone

C20H20ClN5O2 — CID 124942925

IUPAC(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)nc(N)n1
InChIInChI=1S/C20H20ClN5O2/c1-12-9-16(25-20(22)24-12)19(27)26-8-4-7-17(26)18-23-11-14(28-18)10-13-5-2-3-6-15(13)21/h2-3,5-6,9,11,17H,4,7-8,10H2,1H3,(H2,22,24,25)/t17-/m1/s1
InChIKeyAYTUEMZWBUIANZ-QGZVFWFLSA-N
MW397.87 g/mol
LogP3.58
Rot. Bonds4

About (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone

(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 124942925) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID124942925
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)nc(N)n1
InChIInChI=1S/C20H20ClN5O2/c1-12-9-16(25-20(22)24-12)19(27)26-8-4-7-17(26)18-23-11-14(28-18)10-13-5-2-3-6-15(13)21/h2-3,5-6,9,11,17H,4,7-8,10H2,1H3,(H2,22,24,25)/t17-/m1/s1
InChIKeyAYTUEMZWBUIANZ-QGZVFWFLSA-N
XLogP3.58
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-6-methylpyrimidin-4-yl)-[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110121018
(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125004181
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 155902667
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110120572
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 110121409
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 110121246
6-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 124944113
(5-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 124940687
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 110120822
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 110120782
[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110121324
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110120557

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone (CID 124942925) is (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)nc(N)n1.
What is the InChIKey of (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is AYTUEMZWBUIANZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-12-9-16(25-20(22)24-12)19(27)26-8-4-7-17(26)18-23-11-14(28-18)10-13-5-2-3-6-15(13)21/h2-3,5-6,9,11,17H,4,7-8,10H2,1H3,(H2,22,24,25)/t17-/m1/s1.
What are the key properties of (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone?
(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 397.87 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124942925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).