methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate

C13H20N4O2 — CID 66285498

IUPACmethyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC2CCCNC2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(17-12(16-9)13(18)19-2)15-8-10-4-3-5-14-7-10/h6,10,14H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHIKKOHUKGQWXRP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.98
Rot. Bonds4

About methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate (PubChem CID 66285498) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
PubChem CID66285498
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCC2CCCNC2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(17-12(16-9)13(18)19-2)15-8-10-4-3-5-14-7-10/h6,10,14H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHIKKOHUKGQWXRP-UHFFFAOYSA-N
XLogP0.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
CID 106127799
2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768393
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
methyl 4-(2-cyclohexyloxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285067
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
methyl 4-(1,4-dioxan-2-ylmethylamino)-6-methylpyrimidine-2-carboxylate
CID 66287050

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate (CID 66285498) is methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCC2CCCNC2)n1.
What is the InChIKey of methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate?
The InChIKey is HIKKOHUKGQWXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-11(17-12(16-9)13(18)19-2)15-8-10-4-3-5-14-7-10/h6,10,14H,3-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66285498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).