6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine

C15H21N7O — CID 50973908

IUPAC6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(CCc1noc(C2CC2)n1)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C15H21N7O/c1-22(7-6-11-18-14(23-21-11)9-2-3-9)13-8-12(17-10-4-5-10)19-15(16)20-13/h8-10H,2-7H2,1H3,(H3,16,17,19,20)
InChIKeyDPHJOWOLULIPFZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.57
Rot. Bonds7

About 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine

6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 50973908) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID50973908
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(CCc1noc(C2CC2)n1)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C15H21N7O/c1-22(7-6-11-18-14(23-21-11)9-2-3-9)13-8-12(17-10-4-5-10)19-15(16)20-13/h8-10H,2-7H2,1H3,(H3,16,17,19,20)
InChIKeyDPHJOWOLULIPFZ-UHFFFAOYSA-N
XLogP1.57
TPSA105.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine (CID 50973908) is 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine is CN(CCc1noc(C2CC2)n1)c1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is DPHJOWOLULIPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-22(7-6-11-18-14(23-21-11)9-2-3-9)13-8-12(17-10-4-5-10)19-15(16)20-13/h8-10H,2-7H2,1H3,(H3,16,17,19,20).
What are the key properties of 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine?
6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 315.38 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 50973908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).