N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

C20H18N4O2 — CID 112906439

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1ccnc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H18N4O2/c1-13-10-14-4-2-3-5-16(14)24(13)19-8-9-21-20(23-19)22-15-6-7-17-18(11-15)26-12-25-17/h2-9,11,13H,10,12H2,1H3,(H,21,22,23)
InChIKeyBQAUNYLVSLHJFX-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.03
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112906439) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112906439
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCC1Cc2ccccc2N1c1ccnc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H18N4O2/c1-13-10-14-4-2-3-5-16(14)24(13)19-8-9-21-20(23-19)22-15-6-7-17-18(11-15)26-12-25-17/h2-9,11,13H,10,12H2,1H3,(H,21,22,23)
InChIKeyBQAUNYLVSLHJFX-UHFFFAOYSA-N
XLogP4.03
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
N-(1,3-benzodioxol-5-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330192
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
Casein Kinase II Inhibitor IV
CID 11453158
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
3-(1,3-Benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine
CID 146316060
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-quinazolinamine
CID 1490272
2-amino-1-[3-(1,3-benzodioxol-5-ylamino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 45488686
Pyrazolopyridazine 2
CID 6539367
6,7-dimethoxy-4-N-(1-phenylethyl)-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 162646571
6-(5,6-Dimethoxy-2,3-dihydro-indol-1-ylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 469429
N~2~-1,3-benzodioxol-5-yl-N~4~-cyclopentyl-2,4-quinazolinediamine hydrochloride
CID 2225836

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112906439) is N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is CC1Cc2ccccc2N1c1ccnc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is BQAUNYLVSLHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-10-14-4-2-3-5-16(14)24(13)19-8-9-21-20(23-19)22-15-6-7-17-18(11-15)26-12-25-17/h2-9,11,13H,10,12H2,1H3,(H,21,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112906439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).