4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine

C15H23N7O — CID 25055720

IUPAC4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCN2CCCCC2)ncc1-c1nnc(C)o1
InChIInChI=1S/C15H23N7O/c1-11-20-21-14(23-11)12-10-18-15(19-13(12)16-2)17-6-9-22-7-4-3-5-8-22/h10H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyGCQSVZBWPHLPQI-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.77
Rot. Bonds6

About 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine

4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 25055720) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID25055720
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCCN2CCCCC2)ncc1-c1nnc(C)o1
InChIInChI=1S/C15H23N7O/c1-11-20-21-14(23-11)12-10-18-15(19-13(12)16-2)17-6-9-22-7-4-3-5-8-22/h10H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyGCQSVZBWPHLPQI-UHFFFAOYSA-N
XLogP1.77
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine (CID 25055720) is 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine is CNc1nc(NCCN2CCCCC2)ncc1-c1nnc(C)o1.
What is the InChIKey of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is GCQSVZBWPHLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-20-21-14(23-11)12-10-18-15(19-13(12)16-2)17-6-9-22-7-4-3-5-8-22/h10H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine?
4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 317.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25055720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).