6-methoxy-1,3,5-triazine-2,4-diamine

C4H7N5O — CID 17803

IUPAC6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N)n1
InChIInChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)
InChIKeyXVMFICQRQHBOOT-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.96
Rot. Bonds1

About 6-methoxy-1,3,5-triazine-2,4-diamine

6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 17803) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID17803
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(N)n1
InChIInChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)
InChIKeyXVMFICQRQHBOOT-UHFFFAOYSA-N
XLogP-0.96
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
Melamine formaldehyde
CID 93374
N-(Methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 77943
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
DiMMM
CID 19596820
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
4-Methoxy-1,3,5-triazin-2-amine
CID 14288
2-Azido-4,6-dimethoxy-1,3,5-triazine
CID 35499
4-Chloro-6-methoxy-1,3,5-triazin-2-amine
CID 23689
Formaldehyde;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 173855
4-Fluoro-6-methoxy-1,3,5-triazin-2-amine
CID 55281091
N-Hydroxy-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 71443744

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-1,3,5-triazine-2,4-diamine (CID 17803) is 6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(N)n1.
What is the InChIKey of 6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XVMFICQRQHBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9).
What are the key properties of 6-methoxy-1,3,5-triazine-2,4-diamine?
6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 141.13 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).