3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide

C12H19N5O2 — CID 138022710

IUPAC3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
SMILESCOCc1nccc(NC2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C12H19N5O2/c1-19-8-11-14-5-4-10(16-11)15-9-3-2-6-17(7-9)12(13)18/h4-5,9H,2-3,6-8H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyMYKMNUAGYDGSMN-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.58
Rot. Bonds4

About 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide

3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide (PubChem CID 138022710) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
PubChem CID138022710
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
SMILESCOCc1nccc(NC2CCCN(C(N)=O)C2)n1
InChIInChI=1S/C12H19N5O2/c1-19-8-11-14-5-4-10(16-11)15-9-3-2-6-17(7-9)12(13)18/h4-5,9H,2-3,6-8H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyMYKMNUAGYDGSMN-UHFFFAOYSA-N
XLogP0.58
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 71246113
N-[2-(methoxymethyl)pyrimidin-4-yl]-4-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 136553465
N-[2-(methoxymethyl)pyrimidin-4-yl]-5-azaspiro[3.4]octane-5-carboxamide
CID 136553466
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
N-[2-(methoxymethyl)pyrimidin-4-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 138025739
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729
methyl 4-[[1-(2-oxopiperidine-4-carbonyl)azocan-3-yl]amino]pyrimidine-2-carboxylate
CID 154786835
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 42533745
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide (CID 138022710) is 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide is COCc1nccc(NC2CCCN(C(N)=O)C2)n1.
What is the InChIKey of 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The InChIKey is MYKMNUAGYDGSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-8-11-14-5-4-10(16-11)15-9-3-2-6-17(7-9)12(13)18/h4-5,9H,2-3,6-8H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 138022710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).