N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine

C17H19N3O — CID 107588194

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
SMILESCCCCc1oc2ccccc2c1CNc1cncnc1
InChIInChI=1S/C17H19N3O/c1-2-3-7-17-15(11-20-13-9-18-12-19-10-13)14-6-4-5-8-16(14)21-17/h4-6,8-10,12,20H,2-3,7,11H2,1H3
InChIKeyOIDBIZAIDCLJPN-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.18
Rot. Bonds6

About N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine

N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine (PubChem CID 107588194) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
PubChem CID107588194
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
SMILESCCCCc1oc2ccccc2c1CNc1cncnc1
InChIInChI=1S/C17H19N3O/c1-2-3-7-17-15(11-20-13-9-18-12-19-10-13)14-6-4-5-8-16(14)21-17/h4-6,8-10,12,20H,2-3,7,11H2,1H3
InChIKeyOIDBIZAIDCLJPN-UHFFFAOYSA-N
XLogP4.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
CID 83009139
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
CID 43400232
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63001648

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine (CID 107588194) is N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine is CCCCc1oc2ccccc2c1CNc1cncnc1.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine?
The InChIKey is OIDBIZAIDCLJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-3-7-17-15(11-20-13-9-18-12-19-10-13)14-6-4-5-8-16(14)21-17/h4-6,8-10,12,20H,2-3,7,11H2,1H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107588194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).