(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate

C21H17N5O2 — CID 7593681

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate
SMILESNc1nc(COC(=O)c2cccc3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H17N5O2/c22-20-24-18(25-21(26-20)23-15-9-2-1-3-10-15)13-28-19(27)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H3,22,23,24,25,26)
InChIKeyHPWJFBMNBKVYCK-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.71
Rot. Bonds5

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate (PubChem CID 7593681) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate
PubChem CID7593681
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate
SMILESNc1nc(COC(=O)c2cccc3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C21H17N5O2/c22-20-24-18(25-21(26-20)23-15-9-2-1-3-10-15)13-28-19(27)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H3,22,23,24,25,26)
InChIKeyHPWJFBMNBKVYCK-UHFFFAOYSA-N
XLogP3.71
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylbenzoate
CID 7778559
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 46821928
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-iodobenzoate
CID 28559006
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-chlorobenzoate
CID 7614620
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-bromobenzoate
CID 7778523
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-chloro-2-nitrobenzoate
CID 7593618
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4,5-dichloro-1-methylpyrrole-2-carboxylate
CID 25349202
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate
CID 7593328
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(methanesulfonamido)benzoate
CID 27911000
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 46661881
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate
CID 46642179
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 27012987

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate (CID 7593681) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate is Nc1nc(COC(=O)c2cccc3ccccc23)nc(Nc2ccccc2)n1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate?
The InChIKey is HPWJFBMNBKVYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-20-24-18(25-21(26-20)23-15-9-2-1-3-10-15)13-28-19(27)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H3,22,23,24,25,26).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate is sourced from PubChem (CID 7593681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).