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

C16H17N3O — CID 133302138

IUPACN-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCN(CC1CC1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H17N3O/c1-2-19(9-11-7-8-11)16-15-14(17-10-18-16)12-5-3-4-6-13(12)20-15/h3-6,10-11H,2,7-9H2,1H3
InChIKeyUMVHTLWATLUIRX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.61
Rot. Bonds4

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

N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 133302138) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID133302138
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCN(CC1CC1)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H17N3O/c1-2-19(9-11-7-8-11)16-15-14(17-10-18-16)12-5-3-4-6-13(12)20-15/h3-6,10-11H,2,7-9H2,1H3
InChIKeyUMVHTLWATLUIRX-UHFFFAOYSA-N
XLogP3.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 133302138) is N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCN(CC1CC1)c1ncnc2c1oc1ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is UMVHTLWATLUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-19(9-11-7-8-11)16-15-14(17-10-18-16)12-5-3-4-6-13(12)20-15/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133302138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).