N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C15H17N3O — CID 3980878

IUPACN-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCC(C)Nc1nc(C)nc2c1oc1ccccc12
InChIInChI=1S/C15H17N3O/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyBJFMPXPJFNJWKE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.89
Rot. Bonds3

About N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 3980878) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID3980878
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCC(C)Nc1nc(C)nc2c1oc1ccccc12
InChIInChI=1S/C15H17N3O/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14/h5-9H,4H2,1-3H3,(H,16,17,18)
InChIKeyBJFMPXPJFNJWKE-UHFFFAOYSA-N
XLogP3.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 3980878) is N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCC(C)Nc1nc(C)nc2c1oc1ccccc12.
What is the InChIKey of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is BJFMPXPJFNJWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-9(2)16-15-14-13(17-10(3)18-15)11-7-5-6-8-12(11)19-14/h5-9H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 3980878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).