6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H17ClN6O — CID 80809905

IUPAC6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCc2ccc(OC)nc2)n1
InChIInChI=1S/C13H17ClN6O/c1-3-6-15-12-18-11(14)19-13(20-12)17-8-9-4-5-10(21-2)16-7-9/h4-5,7H,3,6,8H2,1-2H3,(H2,15,17,18,19,20)
InChIKeyBCSDLDMMSBFKTA-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.36
Rot. Bonds7

About 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80809905) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80809905
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCc2ccc(OC)nc2)n1
InChIInChI=1S/C13H17ClN6O/c1-3-6-15-12-18-11(14)19-13(20-12)17-8-9-4-5-10(21-2)16-7-9/h4-5,7H,3,6,8H2,1-2H3,(H2,15,17,18,19,20)
InChIKeyBCSDLDMMSBFKTA-UHFFFAOYSA-N
XLogP2.36
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257711
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80809905) is 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCc2ccc(OC)nc2)n1.
What is the InChIKey of 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BCSDLDMMSBFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-3-6-15-12-18-11(14)19-13(20-12)17-8-9-4-5-10(21-2)16-7-9/h4-5,7H,3,6,8H2,1-2H3,(H2,15,17,18,19,20).
What are the key properties of 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 308.77 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80809905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).