methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate

C13H19N3O2 — CID 114214814

IUPACmethyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
SMILESCCC1(CNc2nc(C)ncc2C(=O)OC)CC1
InChIInChI=1S/C13H19N3O2/c1-4-13(5-6-13)8-15-11-10(12(17)18-3)7-14-9(2)16-11/h7H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyJPXGXTKOZWBVOW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds5

About methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate

methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate (PubChem CID 114214814) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
PubChem CID114214814
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
SMILESCCC1(CNc2nc(C)ncc2C(=O)OC)CC1
InChIInChI=1S/C13H19N3O2/c1-4-13(5-6-13)8-15-11-10(12(17)18-3)7-14-9(2)16-11/h7H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyJPXGXTKOZWBVOW-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
CID 114214671
methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
CID 114214129
methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214491
methyl 4-(4-hydroxypentan-2-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214600
methyl 4-(hexan-3-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214345
methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214772
ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
CID 118685052
methyl 4-(4-fluoroanilino)-2-methylpyrimidine-5-carboxylate
CID 114214008
4-(2,2-dimethylpropylamino)-2-methylpyrimidine-5-carboxylic acid
CID 115148776
4-[(1-methoxycyclobutyl)methylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755525

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate (CID 114214814) is methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate is CCC1(CNc2nc(C)ncc2C(=O)OC)CC1.
What is the InChIKey of methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate?
The InChIKey is JPXGXTKOZWBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-13(5-6-13)8-15-11-10(12(17)18-3)7-14-9(2)16-11/h7H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate?
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114214814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).