6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine

C15H26N4O — CID 80846682

IUPAC6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2CCCOC2)c1C
InChIInChI=1S/C15H26N4O/c1-5-16-14-11(2)15(18-12(3)17-14)19(4)9-13-7-6-8-20-10-13/h13H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyWWBNWIDVCDETDT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds5

About 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80846682) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80846682
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2CCCOC2)c1C
InChIInChI=1S/C15H26N4O/c1-5-16-14-11(2)15(18-12(3)17-14)19(4)9-13-7-6-8-20-10-13/h13H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyWWBNWIDVCDETDT-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine (CID 80846682) is 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)CC2CCCOC2)c1C.
What is the InChIKey of 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is WWBNWIDVCDETDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-14-11(2)15(18-12(3)17-14)19(4)9-13-7-6-8-20-10-13/h13H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80846682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).