2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

C14H19N5O — CID 6483813

IUPAC2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1
InChIInChI=1S/C14H19N5O/c1-3-8-20-12-6-4-11(5-7-12)9-19(2)14-17-10-16-13(15)18-14/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyWQZVITCNXDNFBR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.88
Rot. Bonds6

About 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 6483813) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID6483813
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOc1ccc(CN(C)c2ncnc(N)n2)cc1
InChIInChI=1S/C14H19N5O/c1-3-8-20-12-6-4-11(5-7-12)9-19(2)14-17-10-16-13(15)18-14/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyWQZVITCNXDNFBR-UHFFFAOYSA-N
XLogP1.88
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(4-butoxyphenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 625492
N'-methyl-N'-[(4-propoxyphenyl)methyl]propane-1,3-diamine
CID 113285685
2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 165354953
butyl N-(4-amino-1,3,5-triazin-2-yl)-N-butoxycarbonylcarbamate
CID 18678385
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
1-(4-butoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280482
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 6483813) is 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is CCCOc1ccc(CN(C)c2ncnc(N)n2)cc1.
What is the InChIKey of 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WQZVITCNXDNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-8-20-12-6-4-11(5-7-12)9-19(2)14-17-10-16-13(15)18-14/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6483813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).