6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine

C15H20ClN5 — CID 62863713

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2cccc(C)c2)n1
InChIInChI=1S/C15H20ClN5/c1-4-21(5-2)15-19-13(16)18-14(20-15)17-10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3,(H,17,18,19,20)
InChIKeyHETAWIHPCNSMNB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.29
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 62863713) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID62863713
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2cccc(C)c2)n1
InChIInChI=1S/C15H20ClN5/c1-4-21(5-2)15-19-13(16)18-14(20-15)17-10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3,(H,17,18,19,20)
InChIKeyHETAWIHPCNSMNB-UHFFFAOYSA-N
XLogP3.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863803
6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114701549
6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194548
6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 66255962
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194409
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106193353

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 62863713) is 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCc2cccc(C)c2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HETAWIHPCNSMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-4-21(5-2)15-19-13(16)18-14(20-15)17-10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).