N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine

C14H15N3O — CID 63208579

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC2Cc3ccccc3O2)nc1
InChIInChI=1S/C14H15N3O/c1-10-7-15-14(16-8-10)17-9-12-6-11-4-2-3-5-13(11)18-12/h2-5,7-8,12H,6,9H2,1H3,(H,15,16,17)
InChIKeyMHPIOCXANSZKJC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.20
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine (PubChem CID 63208579) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
PubChem CID63208579
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC2Cc3ccccc3O2)nc1
InChIInChI=1S/C14H15N3O/c1-10-7-15-14(16-8-10)17-9-12-6-11-4-2-3-5-13(11)18-12/h2-5,7-8,12H,6,9H2,1H3,(H,15,16,17)
InChIKeyMHPIOCXANSZKJC-UHFFFAOYSA-N
XLogP2.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine (CID 63208579) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine is Cc1cnc(NCC2Cc3ccccc3O2)nc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine?
The InChIKey is MHPIOCXANSZKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-7-15-14(16-8-10)17-9-12-6-11-4-2-3-5-13(11)18-12/h2-5,7-8,12H,6,9H2,1H3,(H,15,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 63208579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).