6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

C13H16ClN5O2 — CID 57003414

IUPAC6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(OCC(C)Nc2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C13H16ClN5O2/c1-8(16-13-18-11(14)17-12(15)19-13)7-21-10-5-3-4-9(6-10)20-2/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyDFFDTTNHDPBRGA-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.00
Rot. Bonds6

About 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 57003414) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID57003414
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(OCC(C)Nc2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C13H16ClN5O2/c1-8(16-13-18-11(14)17-12(15)19-13)7-21-10-5-3-4-9(6-10)20-2/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyDFFDTTNHDPBRGA-UHFFFAOYSA-N
XLogP2.00
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 57003414) is 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is COc1cccc(OCC(C)Nc2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DFFDTTNHDPBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-8(16-13-18-11(14)17-12(15)19-13)7-21-10-5-3-4-9(6-10)20-2/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 309.76 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(3-methoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57003414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).