2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C19H29N5O2 — CID 167915837

IUPAC2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESc1nc(NCCC2CC3CCC2O3)nc(NCCC2CC3CCC2O3)n1
InChIInChI=1S/C19H29N5O2/c1-3-16-12(9-14(1)25-16)5-7-20-18-22-11-23-19(24-18)21-8-6-13-10-15-2-4-17(13)26-15/h11-17H,1-10H2,(H2,20,21,22,23,24)
InChIKeyKVMKYCHWDVUBIS-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.61
Rot. Bonds8

About 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 167915837) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID167915837
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESc1nc(NCCC2CC3CCC2O3)nc(NCCC2CC3CCC2O3)n1
InChIInChI=1S/C19H29N5O2/c1-3-16-12(9-14(1)25-16)5-7-20-18-22-11-23-19(24-18)21-8-6-13-10-15-2-4-17(13)26-15/h11-17H,1-10H2,(H2,20,21,22,23,24)
InChIKeyKVMKYCHWDVUBIS-UHFFFAOYSA-N
XLogP2.61
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 167915837) is 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is c1nc(NCCC2CC3CCC2O3)nc(NCCC2CC3CCC2O3)n1.
What is the InChIKey of 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KVMKYCHWDVUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-16-12(9-14(1)25-16)5-7-20-18-22-11-23-19(24-18)21-8-6-13-10-15-2-4-17(13)26-15/h11-17H,1-10H2,(H2,20,21,22,23,24).
What are the key properties of 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 359.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167915837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).