2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine

C14H16ClN5 — CID 67614131

IUPAC2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
SMILESC/C=C\c1nc(N)nc(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN5/c1-3-4-12-18-13(16)20-14(19-12)17-9(2)10-5-7-11(15)8-6-10/h3-9H,1-2H3,(H3,16,17,18,19,20)/b4-3-
InChIKeyGTOBVZDKSKWERF-ARJAWSKDSA-N
MW289.77 g/mol
LogP3.31
Rot. Bonds4

About 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine

2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine (PubChem CID 67614131) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
PubChem CID67614131
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine
SMILESC/C=C\c1nc(N)nc(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN5/c1-3-4-12-18-13(16)20-14(19-12)17-9(2)10-5-7-11(15)8-6-10/h3-9H,1-2H3,(H3,16,17,18,19,20)/b4-3-
InChIKeyGTOBVZDKSKWERF-ARJAWSKDSA-N
XLogP3.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
N-[4-[1-(4-chlorophenyl)ethylamino]-6-(2-methylprop-1-enyl)-1,3,5-triazin-2-yl]-3-methylbut-2-enamide
CID 54529890
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
2-N-[1-(4-ethylsulfanylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965426
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965428
2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 27784
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine (CID 67614131) is 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine is C/C=C\c1nc(N)nc(NC(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GTOBVZDKSKWERF-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-3-4-12-18-13(16)20-14(19-12)17-9(2)10-5-7-11(15)8-6-10/h3-9H,1-2H3,(H3,16,17,18,19,20)/b4-3-.
What are the key properties of 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.77 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chlorophenyl)ethyl]-6-[(Z)-prop-1-enyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67614131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).