methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate

C15H20N6O2 — CID 154565616

IUPACmethyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(N2CCCC(Cn3ccnc3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-23-14(22)12-7-13(16)19-15(18-12)21-5-2-3-11(9-21)8-20-6-4-17-10-20/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H2,16,18,19)
InChIKeyRHHDBEHPWZVMFB-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.96
Rot. Bonds4

About methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate

methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate (PubChem CID 154565616) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate
PubChem CID154565616
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Namemethyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N)nc(N2CCCC(Cn3ccnc3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-23-14(22)12-7-13(16)19-15(18-12)21-5-2-3-11(9-21)8-20-6-4-17-10-20/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H2,16,18,19)
InChIKeyRHHDBEHPWZVMFB-UHFFFAOYSA-N
XLogP0.96
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-amino-2-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidine-4-carboxylate
CID 146045344
methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 146039102
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
methyl 6-amino-2-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxylate
CID 146043791
(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide
CID 125446744
methyl 6-amino-2-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylate
CID 146041224
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
6-chloro-2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-methyl-1,3-benzothiazole
CID 164928642
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45250223
2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 91835587
methyl 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzoate
CID 90493933

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate (CID 154565616) is methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(N)nc(N2CCCC(Cn3ccnc3)C2)n1.
What is the InChIKey of methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate?
The InChIKey is RHHDBEHPWZVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-23-14(22)12-7-13(16)19-15(18-12)21-5-2-3-11(9-21)8-20-6-4-17-10-20/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H2,16,18,19).
What are the key properties of methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate?
methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate has a molecular weight of 316.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-[3-(imidazol-1-ylmethyl)piperidin-1-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 154565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).