methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate

C11H18N4O2 — CID 113285814

IUPACmethyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N(C)CCCN)n1
InChIInChI=1S/C11H18N4O2/c1-8-7-9(15(2)6-4-5-12)14-10(13-8)11(16)17-3/h7H,4-6,12H2,1-3H3
InChIKeyQSMIIQKXLZMGCS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.36
Rot. Bonds5

About methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate

methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate (PubChem CID 113285814) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
PubChem CID113285814
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N(C)CCCN)n1
InChIInChI=1S/C11H18N4O2/c1-8-7-9(15(2)6-4-5-12)14-10(13-8)11(16)17-3/h7H,4-6,12H2,1-3H3
InChIKeyQSMIIQKXLZMGCS-UHFFFAOYSA-N
XLogP0.36
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate (CID 113285814) is methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(N(C)CCCN)n1.
What is the InChIKey of methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is QSMIIQKXLZMGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-7-9(15(2)6-4-5-12)14-10(13-8)11(16)17-3/h7H,4-6,12H2,1-3H3.
What are the key properties of methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 113285814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).