N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H15N5O — CID 133281821

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1cnn(CCNc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C16H15N5O/c1-11-8-20-21(9-11)7-6-17-16-15-14(18-10-19-16)12-4-2-3-5-13(12)22-15/h2-5,8-10H,6-7H2,1H3,(H,17,18,19)
InChIKeyIANOMVBVSIDFDT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.99
Rot. Bonds4

About N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133281821) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133281821
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1cnn(CCNc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C16H15N5O/c1-11-8-20-21(9-11)7-6-17-16-15-14(18-10-19-16)12-4-2-3-5-13(12)22-15/h2-5,8-10H,6-7H2,1H3,(H,17,18,19)
InChIKeyIANOMVBVSIDFDT-UHFFFAOYSA-N
XLogP2.99
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 8005233
N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 60506387
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
N-[2-(benzenesulfonyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 75415291
N-[(3-fluoro-4-methylphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 134032116
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2,2-dimethylpropanamide
CID 60507824
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine
CID 133281826
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
3-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridin-2-amine
CID 103748346
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 104969986
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133445558

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133281821) is N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1cnn(CCNc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is IANOMVBVSIDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-8-20-21(9-11)7-6-17-16-15-14(18-10-19-16)12-4-2-3-5-13(12)22-15/h2-5,8-10H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 293.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133281821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).