N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C14H20N6O — CID 126889332

IUPACN,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3ncon3)CC2)ncn1
InChIInChI=1S/C14H20N6O/c1-11-7-14(16-9-15-11)19(2)12-3-5-20(6-4-12)8-13-17-10-21-18-13/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyOUYRKSPCLSHICA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.27
Rot. Bonds4

About N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126889332) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126889332
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3ncon3)CC2)ncn1
InChIInChI=1S/C14H20N6O/c1-11-7-14(16-9-15-11)19(2)12-3-5-20(6-4-12)8-13-17-10-21-18-13/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyOUYRKSPCLSHICA-UHFFFAOYSA-N
XLogP1.27
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889379
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889372
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
CID 126889548
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one
CID 126889501
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126889332) is N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3ncon3)CC2)ncn1.
What is the InChIKey of N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is OUYRKSPCLSHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11-7-14(16-9-15-11)19(2)12-3-5-20(6-4-12)8-13-17-10-21-18-13/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126889332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).