N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C18H19N5O2 — CID 45252895

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN(CC1COc2ccccc2O1)c1nccc(-c2cnn(C)c2)n1
InChIInChI=1S/C18H19N5O2/c1-22(11-14-12-24-16-5-3-4-6-17(16)25-14)18-19-8-7-15(21-18)13-9-20-23(2)10-13/h3-10,14H,11-12H2,1-2H3
InChIKeyLARDWJCGOAKCRT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.15
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 45252895) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID45252895
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN(CC1COc2ccccc2O1)c1nccc(-c2cnn(C)c2)n1
InChIInChI=1S/C18H19N5O2/c1-22(11-14-12-24-16-5-3-4-6-17(16)25-14)18-19-8-7-15(21-18)13-9-20-23(2)10-13/h3-10,14H,11-12H2,1-2H3
InChIKeyLARDWJCGOAKCRT-UHFFFAOYSA-N
XLogP2.15
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 110090655
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 142524925
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 94026753
5-amino-11-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 85470985
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 72927693
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole
CID 129497522
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 94821663
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-(4-methoxyphenyl)pyrimidine
CID 4179271
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 95148453
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrimidin-5-ylpyridine-2-carboxamide
CID 124968367

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 45252895) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CN(CC1COc2ccccc2O1)c1nccc(-c2cnn(C)c2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is LARDWJCGOAKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22(11-14-12-24-16-5-3-4-6-17(16)25-14)18-19-8-7-15(21-18)13-9-20-23(2)10-13/h3-10,14H,11-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 337.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 45252895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).