4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide

C14H15N5O2 — CID 117092347

IUPAC4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide
SMILESCOc1nc(NC2CC2)nc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C14H15N5O2/c1-21-14-18-12(17-13(19-14)16-10-6-7-10)9-4-2-8(3-5-9)11(15)20/h2-5,10H,6-7H2,1H3,(H2,15,20)(H,16,17,18,19)
InChIKeyUONXFVBGTRHJDX-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.22
Rot. Bonds5

About 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide

4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide (PubChem CID 117092347) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide
PubChem CID117092347
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide
SMILESCOc1nc(NC2CC2)nc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C14H15N5O2/c1-21-14-18-12(17-13(19-14)16-10-6-7-10)9-4-2-8(3-5-9)11(15)20/h2-5,10H,6-7H2,1H3,(H2,15,20)(H,16,17,18,19)
InChIKeyUONXFVBGTRHJDX-UHFFFAOYSA-N
XLogP1.22
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1H-benzimidazol-2-ylmethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-cyclopropylbenzamide
CID 117082126
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
4-(cyclopropylamino)benzamide
CID 103605968
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 80881678
2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 163594071
2-N-(1,1-dioxothian-4-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80789130
4-(4-cyclopropyloxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114520303
4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
CID 59405066
[4-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]phenyl] carbamate
CID 57173096

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide?
The IUPAC name of 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide (CID 117092347) is 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide.
What is the SMILES notation for 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide?
The canonical SMILES for 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide is COc1nc(NC2CC2)nc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide?
The InChIKey is UONXFVBGTRHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-14-18-12(17-13(19-14)16-10-6-7-10)9-4-2-8(3-5-9)11(15)20/h2-5,10H,6-7H2,1H3,(H2,15,20)(H,16,17,18,19).
What are the key properties of 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide?
4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide has a molecular weight of 285.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 117092347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).