2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C15H18ClN3O — CID 6602801

IUPAC2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NC(C)C)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-4-12-17-13-10-7-5-6-8-11(10)19-14(13)15(18-12)16-9(2)3;/h5-9H,4H2,1-3H3,(H,16,17,18);1H
InChIKeyPPAPAZOLVCNOPR-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.18
Rot. Bonds3

About 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602801) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602801
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NC(C)C)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C15H17N3O.ClH/c1-4-12-17-13-10-7-5-6-8-11(10)19-14(13)15(18-12)16-9(2)3;/h5-9H,4H2,1-3H3,(H,16,17,18);1H
InChIKeyPPAPAZOLVCNOPR-UHFFFAOYSA-N
XLogP4.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602801) is 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(NC(C)C)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is PPAPAZOLVCNOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c1-4-12-17-13-10-7-5-6-8-11(10)19-14(13)15(18-12)16-9(2)3;/h5-9H,4H2,1-3H3,(H,16,17,18);1H.
What are the key properties of 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).