2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide

C23H23N7O2 — CID 143557307

IUPAC2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide
SMILES[H]/N=C(\C(=O)NC1C=C(OC)c2ccccc2C1)c1cc(Nc2ccnc(N)n2)ccc1N
InChIInChI=1S/C23H23N7O2/c1-32-19-12-15(10-13-4-2-3-5-16(13)19)29-22(31)21(25)17-11-14(6-7-18(17)24)28-20-8-9-27-23(26)30-20/h2-9,11-12,15,25H,10,24H2,1H3,(H,29,31)(H3,26,27,28,30)/b25-21-
InChIKeyDRKHLFXTMBZEKO-DAFNUICNSA-N
MW429.48 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide

2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide (PubChem CID 143557307) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide
PubChem CID143557307
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide
SMILES[H]/N=C(\C(=O)NC1C=C(OC)c2ccccc2C1)c1cc(Nc2ccnc(N)n2)ccc1N
InChIInChI=1S/C23H23N7O2/c1-32-19-12-15(10-13-4-2-3-5-16(13)19)29-22(31)21(25)17-11-14(6-7-18(17)24)28-20-8-9-27-23(26)30-20/h2-9,11-12,15,25H,10,24H2,1H3,(H,29,31)(H3,26,27,28,30)/b25-21-
InChIKeyDRKHLFXTMBZEKO-DAFNUICNSA-N
XLogP2.48
TPSA152.03 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
CID 143557243
4-N-(4-amino-3-ethanimidoylphenyl)pyrimidine-2,4-diamine;ethane;ethane-1,1-diol
CID 143557339
4-N-[4-amino-3-(3-methylbenzenecarboximidoyl)phenyl]pyrimidine-2,4-diamine
CID 143557530
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
acetic acid;1-[6-[(2-aminopyrimidin-4-yl)amino]-3H-isoindol-1-yl]-2-phenylethanone
CID 158561044
4-N-[4-amino-3-[5-[(Z)-1-methylsulfanylbut-1-enyl]thiophene-2-carboximidoyl]phenyl]pyrimidine-2,4-diamine
CID 143557648
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
1-[6-[(2-aminopyrimidin-4-yl)amino]-3H-isoindol-1-yl]-2-(oxan-4-yl)ethanone
CID 159039793
2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
CID 91537514
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
2-(2-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-iminoacetamide
CID 144529952

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide (CID 143557307) is 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide is [H]/N=C(\C(=O)NC1C=C(OC)c2ccccc2C1)c1cc(Nc2ccnc(N)n2)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide?
The InChIKey is DRKHLFXTMBZEKO-DAFNUICNSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-32-19-12-15(10-13-4-2-3-5-16(13)19)29-22(31)21(25)17-11-14(6-7-18(17)24)28-20-8-9-27-23(26)30-20/h2-9,11-12,15,25H,10,24H2,1H3,(H,29,31)(H3,26,27,28,30)/b25-21-.
What are the key properties of 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide?
2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2-aminopyrimidin-4-yl)amino]phenyl]-2-imino-N-(4-methoxy-1,2-dihydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 143557307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).