2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine

C14H23N7O — CID 16657141

IUPAC2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCN(C)C)ncc1-c1nnc(C)o1
InChIInChI=1S/C14H23N7O/c1-5-6-15-12-11(13-20-19-10(2)22-13)9-17-14(18-12)16-7-8-21(3)4/h9H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyUPEYINMUNZAWDL-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.63
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 16657141) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID16657141
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCN(C)C)ncc1-c1nnc(C)o1
InChIInChI=1S/C14H23N7O/c1-5-6-15-12-11(13-20-19-10(2)22-13)9-17-14(18-12)16-7-8-21(3)4/h9H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyUPEYINMUNZAWDL-UHFFFAOYSA-N
XLogP1.63
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine (CID 16657141) is 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1nc(NCCN(C)C)ncc1-c1nnc(C)o1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is UPEYINMUNZAWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-5-6-15-12-11(13-20-19-10(2)22-13)9-17-14(18-12)16-7-8-21(3)4/h9H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 305.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 16657141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).