methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate

C13H20N4O2 — CID 106618710

IUPACmethyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N(C)CC2CCCN2)n1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(16-12(15-9)13(18)19-3)17(2)8-10-5-4-6-14-10/h7,10,14H,4-6,8H2,1-3H3
InChIKeyUCRMJTUGROALPV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.76
Rot. Bonds4

About methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate (PubChem CID 106618710) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate
PubChem CID106618710
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N(C)CC2CCCN2)n1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(16-12(15-9)13(18)19-3)17(2)8-10-5-4-6-14-10/h7,10,14H,4-6,8H2,1-3H3
InChIKeyUCRMJTUGROALPV-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66288193
methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
CID 66286542
methyl 5-(piperidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxylate
CID 105481943
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate (CID 106618710) is methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(N(C)CC2CCCN2)n1.
What is the InChIKey of methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate?
The InChIKey is UCRMJTUGROALPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-11(16-12(15-9)13(18)19-3)17(2)8-10-5-4-6-14-10/h7,10,14H,4-6,8H2,1-3H3.
What are the key properties of methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 106618710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).