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

C13H18N6O — CID 126887739

IUPAC6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C13H18N6O/c1-10-6-12(15-8-14-10)17-11-2-4-19(5-3-11)7-13-18-16-9-20-13/h6,8-9,11H,2-5,7H2,1H3,(H,14,15,17)
InChIKeyPLSZXHMLDIJYFO-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.24
Rot. Bonds4

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

6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887739) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887739
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C13H18N6O/c1-10-6-12(15-8-14-10)17-11-2-4-19(5-3-11)7-13-18-16-9-20-13/h6,8-9,11H,2-5,7H2,1H3,(H,14,15,17)
InChIKeyPLSZXHMLDIJYFO-UHFFFAOYSA-N
XLogP1.24
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 70782889
6-(difluoromethyl)-N-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-amine
CID 178970878
6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126887681
N4,N4-dimethyl-N6-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidine-4,6-diamine
CID 126888518
N,6-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126889360
N-{1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889763
N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-cyclopropyl-6-methyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)pyrimidin-4-amine
CID 126890543
N-cyclopropyl-N-{1-[(1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
4-Methyl-6-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)pyrimidine
CID 145869031
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 155823144
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 155941718

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126887739) is 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3nnco3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is PLSZXHMLDIJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-6-12(15-8-14-10)17-11-2-4-19(5-3-11)7-13-18-16-9-20-13/h6,8-9,11H,2-5,7H2,1H3,(H,14,15,17).
What are the key properties of 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).