methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate

C12H18ClN3O2 — CID 169192937

IUPACmethyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCCC(C)Nc1nc(Cl)nc(C)c1C(=O)OC
InChIInChI=1S/C12H18ClN3O2/c1-5-6-7(2)14-10-9(11(17)18-4)8(3)15-12(13)16-10/h7H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyDGIGZZVLZNPOLV-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.83
Rot. Bonds5

About methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate

methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate (PubChem CID 169192937) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate
PubChem CID169192937
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Namemethyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCCC(C)Nc1nc(Cl)nc(C)c1C(=O)OC
InChIInChI=1S/C12H18ClN3O2/c1-5-6-7(2)14-10-9(11(17)18-4)8(3)15-12(13)16-10/h7H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyDGIGZZVLZNPOLV-UHFFFAOYSA-N
XLogP2.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate (CID 169192937) is methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate is CCCC(C)Nc1nc(Cl)nc(C)c1C(=O)OC.
What is the InChIKey of methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate?
The InChIKey is DGIGZZVLZNPOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-5-6-7(2)14-10-9(11(17)18-4)8(3)15-12(13)16-10/h7H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate?
methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate has a molecular weight of 271.75 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methyl-6-(pentan-2-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 169192937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).