4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C15H23N7O — CID 126888478

IUPAC4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1noc(CN2CCC(Nc3cc(N(C)C)ncn3)CC2)n1
InChIInChI=1S/C15H23N7O/c1-11-18-15(23-20-11)9-22-6-4-12(5-7-22)19-13-8-14(21(2)3)17-10-16-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyRLGASJGERKDGNG-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.31
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888478) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888478
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1noc(CN2CCC(Nc3cc(N(C)C)ncn3)CC2)n1
InChIInChI=1S/C15H23N7O/c1-11-18-15(23-20-11)9-22-6-4-12(5-7-22)19-13-8-14(21(2)3)17-10-16-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,17,19)
InChIKeyRLGASJGERKDGNG-UHFFFAOYSA-N
XLogP1.31
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 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) is 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine is Cc1noc(CN2CCC(Nc3cc(N(C)C)ncn3)CC2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is RLGASJGERKDGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-18-15(23-20-11)9-22-6-4-12(5-7-22)19-13-8-14(21(2)3)17-10-16-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,17,19).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 317.40 g/mol, XLogP of 1.31, 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).