methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate

C13H18ClN3O2 — CID 59446992

IUPACmethyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate
SMILESCCCN(CC1CC1)c1cc(C(=O)OC)nc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-3-6-17(8-9-4-5-9)11-7-10(12(18)19-2)15-13(14)16-11/h7,9H,3-6,8H2,1-2H3
InChIKeyAGGPLEISWJRWPI-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.54
Rot. Bonds6

About methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate

methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate (PubChem CID 59446992) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate
PubChem CID59446992
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Namemethyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate
SMILESCCCN(CC1CC1)c1cc(C(=O)OC)nc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-3-6-17(8-9-4-5-9)11-7-10(12(18)19-2)15-13(14)16-11/h7,9H,3-6,8H2,1-2H3
InChIKeyAGGPLEISWJRWPI-UHFFFAOYSA-N
XLogP2.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate (CID 59446992) is methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate is CCCN(CC1CC1)c1cc(C(=O)OC)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate?
The InChIKey is AGGPLEISWJRWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-6-17(8-9-4-5-9)11-7-10(12(18)19-2)15-13(14)16-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate?
methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate has a molecular weight of 283.76 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 59446992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).