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

C14H21N7O — CID 126888582

IUPAC4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C14H21N7O/c1-20(2)13-7-12(15-9-16-13)18-11-3-5-21(6-4-11)8-14-19-17-10-22-14/h7,9-11H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyIHSAPEWPMXCFCL-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.00
Rot. Bonds5

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

4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888582) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888582
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C14H21N7O/c1-20(2)13-7-12(15-9-16-13)18-11-3-5-21(6-4-11)8-14-19-17-10-22-14/h7,9-11H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyIHSAPEWPMXCFCL-UHFFFAOYSA-N
XLogP1.00
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888478
N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
4-N,4-N-dimethyl-6-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888598
4-N,4-N-dimethyl-6-N-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888630
6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888483
4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888535
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
6-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888620
6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888559
4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126877477
4-N,4-N-dimethyl-6-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888667

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888582) is 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3nnco3)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is IHSAPEWPMXCFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-20(2)13-7-12(15-9-16-13)18-11-3-5-21(6-4-11)8-14-19-17-10-22-14/h7,9-11H,3-6,8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 303.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).