N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C19H15N3O3 — CID 663910

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1
InChIInChI=1S/C19H15N3O3/c1-11-21-17-13-4-2-3-5-14(13)25-18(17)19(22-11)20-9-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyZVFVQGJMFAKUDH-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.03
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 663910) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID663910
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1
InChIInChI=1S/C19H15N3O3/c1-11-21-17-13-4-2-3-5-14(13)25-18(17)19(22-11)20-9-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,20,21,22)
InChIKeyZVFVQGJMFAKUDH-UHFFFAOYSA-N
XLogP4.03
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Amuvatinib
CID 11282283
Amuvatinib Hydrochloride
CID 16058702
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
4-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl][1]benzofuro[3,2-d]pyrimidine
CID 2952584
N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1400652
N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2068417
3-fluoro-N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
CID 2068835

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 663910) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(NCc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is ZVFVQGJMFAKUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-11-21-17-13-4-2-3-5-14(13)25-18(17)19(22-11)20-9-12-6-7-15-16(8-12)24-10-23-15/h2-8H,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 333.35 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-ylmethyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 663910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).