5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C21H28N8O2 — CID 11553619

IUPAC5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCOCC2)o1
InChIInChI=1S/C21H28N8O2/c1-2-6-23-19-17(20-28-27-18(31-20)15-29-10-12-30-13-11-29)14-25-21(26-19)24-9-5-16-3-7-22-8-4-16/h3-4,7-8,14H,2,5-6,9-13,15H2,1H3,(H2,23,24,25,26)
InChIKeyKUEWQHUYBLOJQI-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.23
Rot. Bonds10

About 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 11553619) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID11553619
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCOCC2)o1
InChIInChI=1S/C21H28N8O2/c1-2-6-23-19-17(20-28-27-18(31-20)15-29-10-12-30-13-11-29)14-25-21(26-19)24-9-5-16-3-7-22-8-4-16/h3-4,7-8,14H,2,5-6,9-13,15H2,1H3,(H2,23,24,25,26)
InChIKeyKUEWQHUYBLOJQI-UHFFFAOYSA-N
XLogP2.23
TPSA114.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 11553619) is 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCOCC2)o1.
What is the InChIKey of 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is KUEWQHUYBLOJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-2-6-23-19-17(20-28-27-18(31-20)15-29-10-12-30-13-11-29)14-25-21(26-19)24-9-5-16-3-7-22-8-4-16/h3-4,7-8,14H,2,5-6,9-13,15H2,1H3,(H2,23,24,25,26).
What are the key properties of 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 424.51 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-N-propyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11553619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).