methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate

C19H22ClN3O4 — CID 67094637

IUPACmethyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate
SMILESCOCCN(CC=Cc1ccco1)c1nc(C2CC2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C19H22ClN3O4/c1-25-12-10-23(9-3-5-14-6-4-11-27-14)18-15(20)16(19(24)26-2)21-17(22-18)13-7-8-13/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZTZFUMMQPBKSBQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.55
Rot. Bonds9

About methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate

methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate (PubChem CID 67094637) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate
PubChem CID67094637
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Namemethyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate
SMILESCOCCN(CC=Cc1ccco1)c1nc(C2CC2)nc(C(=O)OC)c1Cl
InChIInChI=1S/C19H22ClN3O4/c1-25-12-10-23(9-3-5-14-6-4-11-27-14)18-15(20)16(19(24)26-2)21-17(22-18)13-7-8-13/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZTZFUMMQPBKSBQ-UHFFFAOYSA-N
XLogP3.55
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate with MolForge

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Related Compounds

Methyl 5-chloro-2-(4-fluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220812
5-Chloro-2-cyclopropyl-4-(furan-2-ylmethylamino)-pyrimidine-6-carboxylic acid
CID 42642642
2-Methylpropyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220588
Methyl 5-chloro-2-cyclopropyl-6-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]pyrimidine-4-carboxylate
CID 58220591
Methyl 5-chloro-2-cyclopropyl-6-[ethyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidine-4-carboxylate
CID 58220594
Propyl 5-chloro-2-cyclopropyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 58220612
Methyl 5-chloro-2-cyclopropyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate
CID 58220615
Methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate
CID 58220640
5-Chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 58220674
Methyl 5-chloro-6-(furan-2-ylmethylamino)-2-(4-methylphenyl)pyrimidine-4-carboxylate
CID 58220697
methyl 5-chloro-2-cyclopropyl-6-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-propan-2-ylamino]pyrimidine-4-carboxylate
CID 58220710
5-Chloro-2-cyclopropyl-4-(furan-2-ylmethylamino)-6-methoxycarbonylpyrimidine
CID 58220725

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate (CID 67094637) is methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate is COCCN(CC=Cc1ccco1)c1nc(C2CC2)nc(C(=O)OC)c1Cl.
What is the InChIKey of methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate?
The InChIKey is ZTZFUMMQPBKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-25-12-10-23(9-3-5-14-6-4-11-27-14)18-15(20)16(19(24)26-2)21-17(22-18)13-7-8-13/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate?
methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate has a molecular weight of 391.86 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-cyclopropyl-6-[3-(furan-2-yl)prop-2-enyl-(2-methoxyethyl)amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 67094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).