methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate

C13H19N3O2 — CID 114214671

IUPACmethyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCCCC1CC1
InChIInChI=1S/C13H19N3O2/c1-9-15-8-11(13(17)18-2)12(16-9)14-7-3-4-10-5-6-10/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyPPMQCPFRSVXFPW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds6

About methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate

methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate (PubChem CID 114214671) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
PubChem CID114214671
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCCCC1CC1
InChIInChI=1S/C13H19N3O2/c1-9-15-8-11(13(17)18-2)12(16-9)14-7-3-4-10-5-6-10/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyPPMQCPFRSVXFPW-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
CID 114214129
methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214491
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214772
methyl 4-(4-hydroxypentan-2-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214600
methyl 4-(hexan-3-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214345
methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate
CID 114214138
methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214096

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate (CID 114214671) is methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate is COC(=O)c1cnc(C)nc1NCCCC1CC1.
What is the InChIKey of methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate?
The InChIKey is PPMQCPFRSVXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-15-8-11(13(17)18-2)12(16-9)14-7-3-4-10-5-6-10/h8,10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate?
methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114214671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).