methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate

C20H24ClN3O2 — CID 58220819

IUPACmethyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate
SMILESCCCN(Cc1ccc(C)cc1)c1nc(C2CC2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C20H24ClN3O2/c1-4-11-24(12-14-7-5-13(2)6-8-14)19-16(21)17(20(25)26-3)22-18(23-19)15-9-10-15/h5-8,15H,4,9-12H2,1-3H3
InChIKeyOANMWLGHTQGDCC-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.52
Rot. Bonds7

About methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate

methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate (PubChem CID 58220819) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate
PubChem CID58220819
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Namemethyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate
SMILESCCCN(Cc1ccc(C)cc1)c1nc(C2CC2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C20H24ClN3O2/c1-4-11-24(12-14-7-5-13(2)6-8-14)19-16(21)17(20(25)26-3)22-18(23-19)15-9-10-15/h5-8,15H,4,9-12H2,1-3H3
InChIKeyOANMWLGHTQGDCC-UHFFFAOYSA-N
XLogP4.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate (CID 58220819) is methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate is CCCN(Cc1ccc(C)cc1)c1nc(C2CC2)nc(C(=O)OC)c1Cl.
What is the InChIKey of methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate?
The InChIKey is OANMWLGHTQGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-11-24(12-14-7-5-13(2)6-8-14)19-16(21)17(20(25)26-3)22-18(23-19)15-9-10-15/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate?
methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate has a molecular weight of 373.88 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate is sourced from PubChem (CID 58220819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).