N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C19H18N4O2 — CID 166196115

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC2COc3ccccc3O2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H18N4O2/c1-13-10-18(23-19(22-13)15-6-4-5-9-20-15)21-11-14-12-24-16-7-2-3-8-17(16)25-14/h2-10,14H,11-12H2,1H3,(H,21,22,23)
InChIKeyRBVVRCMBOMWESD-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.10
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 166196115) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID166196115
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC2COc3ccccc3O2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H18N4O2/c1-13-10-18(23-19(22-13)15-6-4-5-9-20-15)21-11-14-12-24-16-7-2-3-8-17(16)25-14/h2-10,14H,11-12H2,1H3,(H,21,22,23)
InChIKeyRBVVRCMBOMWESD-UHFFFAOYSA-N
XLogP3.10
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
6-chloro-4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidine-2,4-diamine
CID 42943703
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 7585700
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 97192688
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
CID 56743334
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 10731942
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine
CID 134706887
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232521
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine
CID 97030115
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 97217829

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 166196115) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1cc(NCC2COc3ccccc3O2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is RBVVRCMBOMWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-10-18(23-19(22-13)15-6-4-5-9-20-15)21-11-14-12-24-16-7-2-3-8-17(16)25-14/h2-10,14H,11-12H2,1H3,(H,21,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 166196115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).