6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine

C16H17N3O2 — CID 72840493

IUPAC6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2oc3ccccc3c2C)ncn1
InChIInChI=1S/C16H17N3O2/c1-11-13-5-3-4-6-14(13)21-15(11)8-17-16-7-12(9-20-2)18-10-19-16/h3-7,10H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyGGSPKUBDCPYFMR-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds5

About 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine

6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine (PubChem CID 72840493) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine
PubChem CID72840493
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2oc3ccccc3c2C)ncn1
InChIInChI=1S/C16H17N3O2/c1-11-13-5-3-4-6-14(13)21-15(11)8-17-16-7-12(9-20-2)18-10-19-16/h3-7,10H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyGGSPKUBDCPYFMR-UHFFFAOYSA-N
XLogP3.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine (CID 72840493) is 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine is COCc1cc(NCc2oc3ccccc3c2C)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is GGSPKUBDCPYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-13-5-3-4-6-14(13)21-15(11)8-17-16-7-12(9-20-2)18-10-19-16/h3-7,10H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72840493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).