5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine

C16H18N6O — CID 155183501

IUPAC5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine
SMILESCCC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C16H18N6O/c1-3-16(2)7-22(12-13(16)19-8-20-14(12)17)9-4-5-11-10(6-9)21-15(18)23-11/h4-6,8H,3,7H2,1-2H3,(H2,18,21)(H2,17,19,20)
InChIKeyCEPOCJCCKQHPAE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.60
Rot. Bonds2

About 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine

5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 155183501) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine
PubChem CID155183501
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine
SMILESCCC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
InChIInChI=1S/C16H18N6O/c1-3-16(2)7-22(12-13(16)19-8-20-14(12)17)9-4-5-11-10(6-9)21-15(18)23-11/h4-6,8H,3,7H2,1-2H3,(H2,18,21)(H2,17,19,20)
InChIKeyCEPOCJCCKQHPAE-UHFFFAOYSA-N
XLogP2.60
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine (CID 155183501) is 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine is CCC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is CEPOCJCCKQHPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-16(2)7-22(12-13(16)19-8-20-14(12)17)9-4-5-11-10(6-9)21-15(18)23-11/h4-6,8H,3,7H2,1-2H3,(H2,18,21)(H2,17,19,20).
What are the key properties of 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine?
5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 310.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 155183501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).