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

C19H21ClFN3O2 — CID 58220702

IUPACmethyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate
SMILESCCCN(Cc1ccccc1F)c1nc(C2CC2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-3-10-24(11-13-6-4-5-7-14(13)21)18-15(20)16(19(25)26-2)22-17(23-18)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWAMMCXXFTXPXRK-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.35
Rot. Bonds7

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

methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate (PubChem CID 58220702) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate
PubChem CID58220702
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Namemethyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate
SMILESCCCN(Cc1ccccc1F)c1nc(C2CC2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-3-10-24(11-13-6-4-5-7-14(13)21)18-15(20)16(19(25)26-2)22-17(23-18)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWAMMCXXFTXPXRK-UHFFFAOYSA-N
XLogP4.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.35
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-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate (CID 58220702) is methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate is CCCN(Cc1ccccc1F)c1nc(C2CC2)nc(C(=O)OC)c1Cl.
What is the InChIKey of methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate?
The InChIKey is WAMMCXXFTXPXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-3-10-24(11-13-6-4-5-7-14(13)21)18-15(20)16(19(25)26-2)22-17(23-18)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate?
methyl 5-chloro-2-cyclopropyl-6-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate has a molecular weight of 377.85 g/mol, XLogP of 4.35, 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-[(2-fluorophenyl)methyl-propylamino]pyrimidine-4-carboxylate is sourced from PubChem (CID 58220702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).