6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C7H13N5O — CID 2735355

IUPAC6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C7H13N5O/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
InChIKeyYLWDRDHNCCNLDV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.28
Rot. Bonds3

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

6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 2735355) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID2735355
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C7H13N5O/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
InChIKeyYLWDRDHNCCNLDV-UHFFFAOYSA-N
XLogP0.28
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cyromazine
CID 47866
Atrazine
CID 2256
Prometon
CID 4928
Propazine
CID 4937
Deethylatrazine
CID 22563
Atraton
CID 15359
Terbumeton
CID 36584
Secbumeton
CID 33443
Simeton
CID 12654
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 2735355) is 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NC(C)C)n1.
What is the InChIKey of 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YLWDRDHNCCNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12).
What are the key properties of 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 183.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2735355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).