6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine

C13H17N5O — CID 80768034

IUPAC6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C13H17N5O/c1-8(2)9-4-6-10(7-5-9)15-12-16-11(14)17-13(18-12)19-3/h4-8H,1-3H3,(H3,14,15,16,17,18)
InChIKeyVRMRNCWPFNBBLO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.33
Rot. Bonds4

About 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80768034) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80768034
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C13H17N5O/c1-8(2)9-4-6-10(7-5-9)15-12-16-11(14)17-13(18-12)19-3/h4-8H,1-3H3,(H3,14,15,16,17,18)
InChIKeyVRMRNCWPFNBBLO-UHFFFAOYSA-N
XLogP2.33
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
6-methoxy-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80779154
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
2-N-(2,3-dichlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80755049
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 70617138
2-N-(2-bromo-5-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 81272535
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine (CID 80768034) is 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VRMRNCWPFNBBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(2)9-4-6-10(7-5-9)15-12-16-11(14)17-13(18-12)19-3/h4-8H,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).